SCHEMBL20920134

SCHEMBL20920134

COc1cc(OC)cc([C@@H](C)N)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.55
CYP1A1 P04798 2/20 0.42
CYP1B1 Q16678 2/20 0.42
TAAR1 Q96RJ0 2/20 0.39
KMT2A Q03164 1/20 0.39
SLC6A4 P31645 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2E1 P05181 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2A6 P11509 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP4B1 P13584 1/20 0.38
CYP2B6 P20813 1/20 0.38
CYP3A5 P20815 1/20 0.38
CYP2A7 P20853 1/20 0.38
CYP3A7 P24462 1/20 0.38
CYP2F1 P24903 1/20 0.38
CYP2C18 P33260 1/20 0.38

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
SCHEMBL1747998 1.00 ALDH1A1 (0.55) ALDH1A1CYP1A1CYP1B1TAAR1KMT2A
SCHEMBL14120676 1.00 ALDH1A1 (0.55) ALDH1A1CYP1A1CYP1B1TAAR1KMT2A
Hydrochloric Acid SCHEMBL14120623 0.98 ALDH1A1 (0.52) ALDH1A1CYP1A1CYP1B1TAAR1KMT2A
Hydrochloric Acid SCHEMBL7788895 0.98 ALDH1A1 (0.52) ALDH1A1CYP1A1CYP1B1TAAR1KMT2A
Hydrochloric Acid SCHEMBL3703308 0.98 ALDH1A1 (0.52) ALDH1A1CYP1A1CYP1B1TAAR1KMT2A
SCHEMBL17040915 0.87 TACR1 (0.46) ALDH1A1TAAR1CYP3A4
SCHEMBL17041230 0.85 ALDH1A1 (0.39) ALDH1A1TAAR1
SCHEMBL5281972 0.85 ADRB2 (0.43) ALDH1A1TAAR1SLC6A4
SCHEMBL4371381 0.85 CYP3A4 (0.43) ALDH1A1CYP1A1CYP1B1KMT2ACYP3A4
SCHEMBL3706661 0.85 ALDH1A1 (0.39) ALDH1A1TAAR1

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
US-20250129041-A1 MOLECULAR GLUE AND USES THEREOF ASTROGEN, INC. (KR) 2025-04-24 US disclosed
CN-110546150-B Pyrazolyl-containing tricyclic derivatives, preparation method and application thereof 江苏豪森药业集团有限公司 2021-12-21 CN disclosed
CN-112020357-A Salts of indazolyl-containing tricyclic derivatives and crystal forms thereof 上海翰森生物医药科技有限公司 2020-12-01 CN disclosed
WO-2020200161-A1 SALT OF INDAZOLYL-CONTAINING TRICYCLIC DERIVATIVE AND CRYSTAL FORM THEREOF 上海翰森生物医药科技有限公司 2020-10-08 WO disclosed
EP-3699179-A1 PYRAZOLYL-CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF Jiangsu Hansoh Pharmaceutical Group Co., Ltd. (CN) 2020-08-26 EP disclosed
US-20200247815-A1 PYRAZOLYL-CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2020-08-06 US disclosed
CN-110546150-A Pyrazolyl-containing tricyclic derivatives, preparation method and application thereof JIANGSU HANSOH PHARMACEUTICAL GROUP CO LTD 2019-12-06 CN disclosed
WO-2019076336-A1 PYRAZOLYL-CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 江苏豪森药业集团有限公司 2019-04-25 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 (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-20250129041-A1 MOLECULAR GLUE AND USES THEREOF ILK, FGB, UNC119 ALDH1A1 1621/4885CYP1A1 4817/4885CYP1B1 4561/4885
US-20200247815-A1 PYRAZOLYL-CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF MAPK1, MAPK11, MAPK14 ALDH1A1 1717/4885CYP1A1 150/4885CYP1B1 114/4885

“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.