SCHEMBL23327352

SCHEMBL23327352

COc1cc(Br)cc(OC)c1C(C)=O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.53
MAPK1 P28482 2/20 0.53
USP2 O75604 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
KMT2A Q03164 1/20 0.47
ERN1 O75460 1/20 0.47
LMNA P02545 1/20 0.45
PIM1 P11309 1/20 0.45
HTT P42858 1/20 0.44
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
GAA P10253 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CA9 Q16790 2/20 0.41
CA12 O43570 1/20 0.41
HSD17B10 Q99714 1/20 0.40
PTPN1 P18031 1/20 0.40

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
SCHEMBL14710221 0.90 CYP3A4 (0.49) CYP3A4MAPK1USP2SMN1; SMN2KMT2A
SCHEMBL30016451 0.88 CYP3A4 (0.66) CYP3A4MAPK1USP2SMN1; SMN2KMT2A
SCHEMBL23327308 0.88 CYP3A4 (0.66) CYP3A4MAPK1USP2SMN1; SMN2KMT2A
SCHEMBL24252938 0.87 CYP3A4 (0.46) CYP3A4MAPK1USP2SMN1; SMN2KMT2A
SCHEMBL18622413 0.87 MAPK1 (0.46) CYP3A4MAPK1USP2SMN1; SMN2KMT2A
SCHEMBL23327278 0.86 CYP3A4 (0.42) CYP3A4MAPK1USP2SMN1; SMN2KMT2A
SCHEMBL20564431 0.83 CA12 (0.57) CYP3A4MAPK1USP2SMN1; SMN2KMT2A
SCHEMBL21616730 0.81 ERN1 (0.46) CYP3A4ERN1PIM1ALOX15ALOX12
SCHEMBL2029772 0.80 CYP3A4 (0.78) CYP3A4MAPK1USP2SMN1; SMN2KMT2A
SCHEMBL12248741 0.80 CYP3A4 (0.60) CYP3A4MAPK1USP2SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025066915-A1 AHR MODULATOR AND USE THEREOF 德明药泰生物技术(深圳)有限公司 2025-04-03 WO disclosed
CN-119707643-A AhR regulator and application thereof 德明药泰生物技术(深圳)有限公司 2025-03-28 CN disclosed
WO-2023086428-A2 NOVEL MODULATORS OF THE ARYL HYDROCARBON RECEPTOR AND METHODS OF USE THEREOF ALLIANTHERA (SUZHOU) BIOPHARMACEUTICAL CO., LTD. (CN) 2023-05-19 WO disclosed
CN-113264945-B Spiro derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2022-11-22 CN disclosed
EP-3411036-B1 3,5-DISUBSTITUTED PYRAZOLES USEFUL AS CHECKPOINT KINASE 1 (CHK1) INHIBITORS, AND THEIR PREPARATIONS AND APPLICATIONS PHARMAENGINE INC (TW) 2021-12-29 EP disclosed
US-11116767-B2 3,5-disubstituted pyrazoles useful as checkpoint kinase 1 (Chk1) inhibitors, and their preparations and applications PHARMAENGINE, INC. (TW) 2021-09-14 US disclosed
WO-2021178920-A1 COMPOUNDS FOR TARGETED DEGRADATION OF BRD9 C4 THERAPEUTICS, INC. (US) 2021-09-10 WO disclosed
US-20210137918-A1 3,5-DISUBSTITUTED PYRAZOLES USEFUL AS CHECKPOINT KINASE 1 (CHK1) INHIBITORS, AND THEIR PREPARATIONS AND APPLICATIONS PHARMAENGINE, INC. (TW) 2021-05-13 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 (2 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-20210137918-A1 3,5-DISUBSTITUTED PYRAZOLES USEFUL AS CHECKPOINT KINASE 1 (CHK1) INHIBITORS, AND THEIR PREPARATIONS AND APPLICATIONS CHEK1, CHEK2, BUB1 CYP3A4 2547/4885MAPK1 337/4885USP2 1769/4885
US-11116767-B2 3,5-disubstituted pyrazoles useful as checkpoint kinase 1 (Chk1) inhibitors, and their preparations and applications CHEK1, CHEK2, BUB1 CYP3A4 2547/4885MAPK1 337/4885USP2 1769/4885

“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.