SCHEMBL774871

SCHEMBL774871

Pc1ccccc1.Pc1ccccc1.Pc1ccccc1.Pc1ccccc1.[Pd]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
TSHR P16473 5/20 0.35
TDP1 Q9NUW8 5/20 0.35
CA1 P00915 3/20 0.35
CA9 Q16790 3/20 0.35
ALOX12 P18054 3/20 0.35
CA2 P00918 2/20 0.35
CA12 O43570 1/20 0.35
GLA P06280 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA14 Q9ULX7 1/20 0.35
LMNA P02545 1/20 0.35
ACHE P22303 1/20 0.35
CA7 P43166 1/20 0.35
HSD17B10 Q99714 3/20 0.33
CYP2A6 P11509 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL29601130 1.00
SCHEMBL1852390 1.00
SCHEMBL28612865 1.00 ALDH1A1 (0.40) ALDH1A1TSHRTDP1CA1CA9
SCHEMBL29457685 1.00 ALDH1A1 (0.40) ALDH1A1TSHRTDP1CA1CA9
Hydrochloric Acid SCHEMBL22471233 0.96 ALDH1A1 (0.38) ALDH1A1TSHRTDP1CA1CA9
Hydrochloric Acid SCHEMBL8521950 0.96
Benzene SCHEMBL28128746 0.96 ALDH1A1 (0.43) ALDH1A1TSHRTDP1CA1CA9
SCHEMBL49436 0.96
Bromide SCHEMBL10514507 0.92 ALDH1A1 (0.40) ALDH1A1TSHRTDP1CA1CA9
Water SCHEMBL22231695 0.92

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071669-A1 PROCESS FOR PREPARATION OF ELETRIPTAN AND SALT THEREOF USV Limited B.S.D. Mar (IN) 2012-03-22 US claimed
US-12545656-B2 Organic light-emitting compound and organic electroluminescent device using the same SOLUS ADVANCED MATERIALS CO., LTD. (KR) 2026-02-10 US disclosed
US-11856806-B2 Disubstituted dl aryloxybenzoh eterodi azole compounds ENI S.P.A. (IT) 2023-12-26 US disclosed
CN-111032642-B Kinase inhibitors and methods of making and using the same 里格尔药品股份有限公司 2023-07-18 CN disclosed
CN-112409315-B Diamine monomer containing spirofluorene functional group, preparation method thereof and polyimide with low dielectric constant 广东工业大学 2023-03-28 CN disclosed
EP-3867333-B1 DISUBSTITUTED DIARYLOXYBENZOHETERODIAZOLE COMPOUNDS ENI SPA (IT) 2022-09-14 EP disclosed
US-11316117-B2 Organometallic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2022-04-26 US disclosed
US-20210367176-A1 DISUBSTITUTED DL ARYLOXYBENZOH ETERODI AZOLE COMPOUNDS ENI S.P.A. (US) 2021-11-25 US disclosed
CN-113166138-A Disubstituted diaryloxybenzoheterodiazole compounds 艾尼股份公司 2021-07-23 CN disclosed
CN-112409315-A Diamine monomer containing spirofluorene functional group, preparation method thereof and polyimide with low dielectric constant 广东工业大学 2021-02-26 CN disclosed
EP-1150937-A1 LIQUID CRYSTALLINE TRIFLUORO-SUBSTITUTED COMPOUNDS QinetiQ Limited (GB) 2001-11-07 EP disclosed
EP-1144546-A2 FLUORINATED TERPHENYLS QinetiQ Limited (GB) 2001-10-17 EP disclosed
WO-2000039062-A1 LIQUID CRYSTALLINE TRIFLUORO-SUBSTITUTED COMPOUNDS THE SECRETARY OF STATE FOR DEFENCE (GB) 2000-07-06 WO disclosed
WO-2000004111-A2 FLUORINATED TERPHENYLS THE SECRETARY OF STATE FOR DEFENCE (GB) 2000-01-27 WO disclosed
US-5763408-A TUMOR METASTASIS INHIBITORS FUJI PHOTO FILM CO., LTD. (JP) 1998-06-09 US disclosed
EP-0821682-A1 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS MODULATORS OF THE GABA A? RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 1998-02-04 EP disclosed
WO-1996033191-A1 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS MODULATORS OF THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 1996-10-24 WO disclosed
EP-0644181-B1 AMINO ACID DERIVATIVE AND USE THEREOF FUJI PHOTO FILM CO LTD (JP) 1996-09-04 EP disclosed
WO-1996019988-A1 4,4-(DISUBSTITUTED)CYCLOHEXAN-1-OLS MONOMERS AND RELATED COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1996-07-04 WO disclosed
EP-0644181-A1 AMINO ACID DERIVATIVE AND USE THEREOF FUJI PHOTO FILM CO., LTD. (JP) 1995-03-22 EP 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 (5 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-20210367176-A1 DISUBSTITUTED DL ARYLOXYBENZOH ETERODI AZOLE COMPOUNDS CCND3, CCND2, CCND1 ALDH1A1 936/4885TSHR 387/4885TDP1 4010/4885
US-20120071669-A1 PROCESS FOR PREPARATION OF ELETRIPTAN AND SALT THEREOF HTR3C, SLC6A4, HTR3A ALDH1A1 2989/4885TSHR 1370/4885TDP1 607/4885
US-11856806-B2 Disubstituted dl aryloxybenzoh eterodi azole compounds LSS, CCND1, CCND2 ALDH1A1 489/4885TSHR 3662/4885TDP1 4024/4885
US-12545656-B2 Organic light-emitting compound and organic electroluminescent device using the same ELOVL1, EPB41L2, L1CAM ALDH1A1 268/4885TSHR 2989/4885TDP1 1985/4885
US-11316117-B2 Organometallic compound and organic light-emitting device including the same OCIAD1, L3MBTL1, OCIAD2 ALDH1A1 817/4885TSHR 3243/4885TDP1 1054/4885

“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.