SCHEMBL16010409

SCHEMBL16010409

CC(C)(O)C(C)(C)OB(O)c1ccnc2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 2/20 0.37
LOXL2 Q9Y4K0 1/20 0.35
HTR1A P08908 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
AAK1 Q2M2I8 2/20 0.33
SLC22A12 Q96S37 1/20 0.33
HTT P42858 2/20 0.33
ADRB2 P07550 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
SSTR4 P31391 2/20 0.32
GRM4 Q14833 2/20 0.32
RIPK2 O43353 2/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL29277674 0.82 NCF1 (0.43) NCF1LOXL2HTR1AADRA1DADRA1A
SCHEMBL16010143 0.81 GAK (0.37) AAK1SLC22A12RIPK2GAK
SCHEMBL783960 0.81 LMNA (0.44) TSHRMEN1ALDH1A1LMNAMAPT
SCHEMBL16009379 0.81 GAK (0.37) AAK1GRM4GAK
SCHEMBL16010147 0.78 NCF1 (0.45) NCF1HTTADRB2TSHRCYP2C19
SCHEMBL482068 0.76 NCF1 (0.50) NCF1LOXL2HTR1AADRA1DADRA1A
SCHEMBL5953116 0.76 ALDH1A1 (0.36) CYP3A4TSHRCYP2C19MEN1ALDH1A1
SCHEMBL1164876 0.75 PRKCI (0.40)
SCHEMBL16150302 0.75 ADORA2A (0.43) ADRB2LMNAMAPTKMT2A
SCHEMBL4434307 0.74 CYP3A4 (0.44) NCF1CYP3A4TSHRCYP2C19SSTR4

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113957441-B Etching solution and preparation method and application thereof 光华科学技术研究院(广东)有限公司 2024-01-02 CN claimed
CN-113957441-A Etching solution and preparation method and application thereof 光华科学技术研究院(广东)有限公司 2022-01-21 CN claimed
CN-113957441-B Etching solution and preparation method and application thereof 光华科学技术研究院(广东)有限公司 2024-01-02 CN disclosed
CN-115246813-A High refractive index organic compound, cover layer material and light emitting element 东丽先端材料研究开发(中国)有限公司 2022-10-28 CN disclosed
CN-113957441-A Etching solution and preparation method and application thereof 光华科学技术研究院(广东)有限公司 2022-01-21 CN disclosed
US-10391175-B2 BET bromodomain inhibitors and therapeutic methods using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-08-27 US disclosed
EP-2970312-B1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME UNIV MICHIGAN REGENTS (US) 2017-11-15 EP disclosed
US-20170281773-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-10-05 US disclosed
US-9675697-B2 BET bromodomain inhibitors and therapeutic methods using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-06-13 US disclosed
EP-2970312-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME The Regents of The University of Michigan (US) 2016-01-20 EP disclosed
WO-2014164596-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-10-09 WO disclosed
US-20140256706-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-09-11 US 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 (3 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-10391175-B2 BET bromodomain inhibitors and therapeutic methods using the same BRD4, BRDT, BRD3 NCF1 1023/4885LOXL2 1520/4885HTR1A 4254/4885
US-20170281773-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME BRD4, BRDT, BRD3 NCF1 1023/4885LOXL2 1520/4885HTR1A 4254/4885
US-20140256706-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME BRD4, BRDT, BRD3 NCF1 1023/4885LOXL2 1520/4885HTR1A 4254/4885

“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.