SCHEMBL1506563

SCHEMBL1506563

COc1ccc(C(C)(C)C)cc1B(O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.48
TUBB4A P04350 3/20 0.46
TUBB P07437 3/20 0.46
TUBA3C P0DPH7 3/20 0.46
TUBA1B P68363 3/20 0.46
TUBA4A P68366 3/20 0.46
TUBB4B P68371 3/20 0.46
TUBB3 Q13509 3/20 0.46
TUBB2A Q13885 3/20 0.46
TUBB8 Q3ZCM7 3/20 0.46
TUBA3E Q6PEY2 3/20 0.46
TUBA1A Q71U36 3/20 0.46
TUBA1C Q9BQE3 3/20 0.46
TUBB6 Q9BUF5 3/20 0.46
TUBB2B Q9BVA1 3/20 0.46
TUBB1 Q9H4B7 3/20 0.46
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TRPV1 Q8NER1 1/20 0.43
ORAI1 Q96D31 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12118475 0.85 TRPV1 (0.52) ENPP2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29957898 0.85 TRPV1 (0.52) ENPP2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29588618 0.83 ENPP2 (0.47) ENPP2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL319585 0.83 ENPP2 (0.47) ENPP2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL15674823 0.81 EGFR (0.48) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29952486 0.80 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2HPGDALOX15HSD17B10
SCHEMBL31063492 0.80 ENPP2 (0.41) ENPP2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29436012 0.77 CA2 (0.50) ALDH1A1SMN1; SMN2TRPV1HPGDALOX15
SCHEMBL179467 0.77 CA2 (0.50) ALDH1A1SMN1; SMN2TRPV1HPGDALOX15
SCHEMBL7978272 0.76 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2HPGDALOX15HSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 93 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115197254-A Nitrogen boron nitrogen hetero-bispiro alkene containing (HN) -B- (NH) structure, eutectic assembly and preparation method thereof 上海交通大学 2022-10-18 CN claimed
CN-119798292-A Polycyclic fusion molecule containing oxygen, boron and nitrogen coordination bonds and preparation method thereof 华侨大学 2025-04-11 CN disclosed
CN-115197254-B Nitrogen boron nitrogen hetero-bisspiroalkene containing (HN) -B- (NH) structure, eutectic assembly thereof and preparation method 上海交通大学 2024-09-20 CN disclosed
US-11785840-B2 Organometallic compound, organic light-emitting device including the organometallic compound, and diagnosis composition including the organometallic compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2023-10-10 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
CN-115197254-A Nitrogen boron nitrogen hetero-bispiro alkene containing (HN) -B- (NH) structure, eutectic assembly and preparation method thereof 上海交通大学 2022-10-18 CN disclosed
US-20210226135-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND DIAGNOSIS COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND SAMSUNG ELECTRONICS CO LTD (KR) 2021-07-22 US disclosed
US-11011711-B2 Organometallic compound, organic light-emitting device including the organometallic compound, and diagnosis composition incluidng the organometallic compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2021-05-18 US disclosed
US-10954251-B2 Thienopyrimidine inhibitors of atypical protein kinase C CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2021-03-23 US disclosed
CN-107056844-B Organometallic compound, organic light emitting device including the same, and diagnostic composition including the same 三星电子株式会社 2021-03-16 CN disclosed
US-20100105909-A1 MODIFIED METAL COMPLEX AND USE THEREOF SUMITTO CHEMICAL COMPANY, LIMITED (JP) 2010-04-29 US disclosed
WO-2010010017-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-28 WO disclosed
US-20100021423-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2010-01-28 US disclosed
WO-2009098282-A1 LOW MOLECULAR WEIGHT 2,5-DISUBSTITUTED THIOPHENE DERIVATIVES AND USE THEREOF IN THERAPY NOVASAID AB (SE) 2009-08-13 WO disclosed
WO-2009053694-A1 THERAPEUTIC OXY-PHENYL-ARYL COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-04-30 WO disclosed
US-20090042892-A1 Cetp Inhibitors MERCK SHARP & DOHME LLC 2009-02-12 US disclosed
US-20090042892-A1 Cetp Inhibitors MERCK SHARP & DOHME LLC 2009-02-12 US disclosed
US-20090018054-A1 Cholesteryl Ester Transfer Protein Inhibitors MERCK SHARP & DOHME LLC 2009-01-15 US disclosed
EP-1973546-A2 CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS Merck & Co., Inc. (US) 2008-10-01 EP disclosed
WO-2007081570-A2 CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS MERCK & CO., INC. (US) 2007-07-19 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090042892-A1 Cetp Inhibitors CETP, APOB, MTTP ENPP2 2659/4885TUBB4A 2214/4885TUBB 1875/4885
US-20210226135-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND DIAGNOSIS COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND OCIAD1, ORC3, LEF1 ENPP2 4196/4885TUBB4A 3007/4885TUBB 3283/4885
US-11785840-B2 Organometallic compound, organic light-emitting device including the organometallic compound, and diagnosis composition including the organometallic compound OCIAD1, ORC3, LEF1 ENPP2 4196/4885TUBB4A 3007/4885TUBB 3283/4885
US-10954251-B2 Thienopyrimidine inhibitors of atypical protein kinase C PRKX, PRKCQ, PRKACA ENPP2 1661/4885TUBB4A 2508/4885TUBB 2633/4885
US-20100105909-A1 MODIFIED METAL COMPLEX AND USE THEREOF TPR, MT-CO2, AP3M1 ENPP2 4685/4885TUBB4A 2898/4885TUBB 3207/4885
US-20090018054-A1 Cholesteryl Ester Transfer Protein Inhibitors CETP, APOB, MTTP ENPP2 2101/4885TUBB4A 2323/4885TUBB 2798/4885
US-20100021423-A1 Heterocyclic antiviral compounds POLR2A, RRM2B, RRP1B ENPP2 4335/4885TUBB4A 1164/4885TUBB 1243/4885
US-11011711-B2 Organometallic compound, organic light-emitting device including the organometallic compound, and diagnosis composition incluidng the organometallic compound OCIAD1, OCIAD2, PDCD1LG2 ENPP2 4487/4885TUBB4A 2389/4885TUBB 2445/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.