SCHEMBL5987640

SCHEMBL5987640

C=Cc1cc(OCc2ccccc2)cc(OCc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.56
MAOA P21397 3/20 0.56
CYP1A2 P05177 2/20 0.55
CYP1A1 P04798 1/20 0.55
CYP19A1 P11511 1/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
LCK P06239 1/20 0.53
CCNB2 O95067 1/20 0.50
CDK1 P06493 1/20 0.50
CDK4 P11802 1/20 0.50
CCNB1 P14635 1/20 0.50
CCND1 P24385 1/20 0.50
CCNB3 Q8WWL7 1/20 0.50
ALOX5 P09917 1/20 0.50
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
PKM P14618 1/20 0.49
LMNA P02545 1/20 0.48
PTGS1 P23219 1/20 0.48

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
SCHEMBL14546714 0.88 GCK (0.47) MAOBMAOACYP1A2CYP1A1CYP19A1
SCHEMBL2265668 0.86 MAOB (0.71) MAOBMAOALCKCCNB2CDK1
SCHEMBL4674930 0.84 MEN1 (0.70) MAOBMAOACYP1A2MEN1KMT2A
SCHEMBL763259 0.83 LMNA (0.60) MAOBMAOACYP1A2MEN1KMT2A
SCHEMBL6394555 0.82 ALDH1A1 (0.46) MAOBMAOACYP1A2CYP1A1CYP19A1
SCHEMBL27314743 0.82 MAOB (0.49) MAOBMAOACYP1A2CYP1A1CYP19A1
SCHEMBL28441803 0.81 CYP1A2 (0.73) MAOBMAOACYP1A2CYP1A1CYP19A1
SCHEMBL578947 0.81 MAOB (0.75) MAOBMAOACYP1A2CYP1A1CYP19A1
SCHEMBL6661433 0.81 MAOB (0.56) MAOBMAOACYP1A2CYP1A1CYP19A1
SCHEMBL2516876 0.79 APP (0.58) MAOBMAOACYP1A2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230067037-A1 CONJUGATED CHEMICAL INDUCERS OF DEGRADATION AND METHODS OF USE GENENTECH, INC. (US) 2023-03-02 US disclosed
US-20230059087-A1 CANNABIDIOL DERIVATIVES, PREPARATION METHOD THEREOF AND USE THEREOF CHENGDU BAIYU PHARMACEUTICAL CO., LTD. (CN) 2023-02-23 US disclosed
US-20230059087-A1 CANNABIDIOL DERIVATIVES, PREPARATION METHOD THEREOF AND USE THEREOF CHENGDU BAIYU PHARMACEUTICAL CO., LTD. (CN) 2023-02-23 US disclosed
EP-4089084-A1 CANNABIDIOL DERIVATIVE, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF Chengdu Baiyu Pharmaceutical Co., Ltd. (CN) 2022-11-16 EP disclosed
EP-4089084-A1 CANNABIDIOL DERIVATIVE, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF Chengdu Baiyu Pharmaceutical Co., Ltd. (CN) 2022-11-16 EP disclosed
WO-2021139741-A1 CANNABIDIOL DERIVATIVE, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 成都百裕制药股份有限公司 2021-07-15 WO disclosed
WO-2013095305-A1 BODIPY STRUCTURE FLUORESCENCE PROBES FOR DIVERSE BIOLOGICAL APPLICATIONS NATIONAL UNIVERSITY OF SINGAPORE (SG) 2013-06-27 WO disclosed
US-7018993-B2 Antiandrogenic agent CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-03-28 US disclosed
US-20030158164-A1 Novel antiandrogenic agent CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-08-21 US disclosed
EP-1304334-A1 NOVEL ANTIANDROGENIC AGENT CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-04-23 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 (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-20230067037-A1 CONJUGATED CHEMICAL INDUCERS OF DEGRADATION AND METHODS OF USE ADRM1, SSB, FCER2 MAOB 3032/4885MAOA 2512/4885CYP1A2 2267/4885
US-20230059087-A1 CANNABIDIOL DERIVATIVES, PREPARATION METHOD THEREOF AND USE THEREOF CNR1, CNR2, UGT2B7 MAOB 970/4885MAOA 1183/4885CYP1A2 20/4885
US-20030158164-A1 Novel antiandrogenic agent NR5A1, CYP19A1, HSD17B11 MAOB 3451/4885MAOA 3673/4885CYP1A2 179/4885

“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.