SCHEMBL6324673

SCHEMBL6324673

COc1ccc(C2Oc3cc(OC)cc(OC)c3C2=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
ABCB1 P08183 5/20 0.52
CYP3A4 P08684 2/20 0.51
MAPK1 P28482 2/20 0.51
KDM4E B2RXH2 1/20 0.51
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51
ABCG2 Q9UNQ0 1/20 0.51
LMNA P02545 1/20 0.47
ROR1 Q01973 1/20 0.46
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
HTT P42858 1/20 0.45
BLM P54132 1/20 0.45
KMT2A Q03164 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
CYP19A1 P11511 1/20 0.44

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
SCHEMBL10054661 1.00 ALDH1A1 (0.58) ALDH1A1ABCB1CYP3A4MAPK1KDM4E
SCHEMBL30725970 1.00 ALDH1A1 (0.58) ALDH1A1ABCB1CYP3A4MAPK1KDM4E
SCHEMBL2629461 0.91 ALDH1A1 (0.55) ALDH1A1ABCB1CYP3A4MAPK1KDM4E
SCHEMBL30725971 0.91 ALDH1A1 (0.55) ALDH1A1ABCB1CYP3A4MAPK1KDM4E
SCHEMBL30966448 0.91 ALDH1A1 (0.55) ALDH1A1ABCB1CYP3A4MAPK1KDM4E
SCHEMBL29169330 0.90 ALDH1A1 (0.63) ALDH1A1ABCB1CYP3A4MAPK1KDM4E
SCHEMBL15077679 0.89 ALDH1A1 (0.47) ALDH1A1ABCB1CYP3A4MAPK1KDM4E
SCHEMBL15077681 0.89 ALDH1A1 (0.47) ALDH1A1ABCB1CYP3A4MAPK1KDM4E
SCHEMBL5791797 0.85 ALDH1A1 (0.47) ALDH1A1ABCB1CYP3A4MAPK1KDM4E
SCHEMBL6324472 0.84 ROR1 (0.51) ALDH1A1ABCB1CYP3A4MAPK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113912577-B Rockwell intermediate, rockwell and its derivative, and preparation and application 深圳湾实验室 2023-12-29 CN disclosed
CN-113912577-A Lockmilanol intermediate, Lockmilanol and derivatives thereof, preparation and application 深圳湾实验室 2022-01-11 CN disclosed
CN-107473775-B Method for recovering phosphorus and fluorine in phosphoric acid concentrated slag acid and co-producing low-fluorine water-soluble fertilizer 中化云龙有限公司 2020-04-10 CN disclosed
CN-107473775-A Reclaim phosphorus and the molten fertile method of fluorine co-production low fluorine water in Phosphoric Acid Concentration slag acid 中化化肥有限公司成都研发中心 2017-12-15 CN disclosed
US-9206100-B2 Route to synthetic analogues of Rocaglamide and Aglafoline using cascade transformations initiated by oxy-cope rearrangement of bis-alkynes The Florida State University Research Foundation, Inc. (US) 2015-12-08 US disclosed
US-20130165683-A1 NEW ROUTE TO SYNTHETIC ANALOGUES OF ROCAGLAMIDE AND AGLAFOLINE USING CASCADE TRANSFORMATIONS INITIATED BY OXY-COPE REARRANGEMENT OF BIS-ALKYNES THE FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION INC. 2013-06-27 US disclosed
WO-2012037062-A2 NEW ROUTE TO SYNTHETIC ANALOGUES OF ROCAGLAMIDE AND AGLAFOLINE USING CASCADE TRANSFORMATIONS INITIATED BY OXY-COPE REARRANGEMENTS OF BIS-ALKYNES FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2012-03-22 WO disclosed
US-6943182-B2 Cyclopentabenzofuran derivatives and their use BAYER AKTIENGESELLSCHAFT (DE) 2005-09-13 US disclosed
EP-0824524-B1 ALPHA-SUBSTITUTED PYRIMIDINE-THIOALKYL AND ALKYLETHER COMPOUNDS AS INHIBITORS OF VIRAL REVERSE TRANSCRIPTASE UPJOHN CO (US) 2004-09-08 EP disclosed
EP-1449835-A2 Alpha-substituted pyrimidine-thioalkyl and alkylether compounds PHARMACIA & UPJOHN COMPANY (US) 2004-08-25 EP disclosed
US-4822896-A Method of synthesizing forskolin from 9-deoxyforskolin HOECHST ROUSSEL PHARMACEUTICALS, INC. (US) 1989-04-18 US disclosed
US-4820826-A CHEMICAL INTERMEDIATES HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1989-04-11 US disclosed
US-4808762-A Insecticidal cyclopropyl-substituted di(aryl) compounds FMC CORPORATION (US) 1989-02-28 US disclosed
WO-1988008416-A1 INSECTICIDAL CYCLOPROPYL-SUBSTITUTED DI(ARYL) COMPOUNDS FMC CORPORATION (US) 1988-11-03 WO disclosed
US-4734513-A Method of synthesizing forskolin from 9-deoxyforskolin HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1988-03-29 US disclosed
EP-0243646-A1 A process for the preparation of forskolin from 9-deoxy-forskolin and intermediates used therein HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1987-11-04 EP disclosed
US-4327070-A Production of potassium formate from potassium sulfate TRW INC. (US) 1982-04-27 US disclosed
US-4254285-A 1-Hydroxymethyl-1-1-oxo prostane derivatives of the E and F series AMERICAN CYANAMID COMPANY (US) 1981-03-03 US disclosed
US-4227011-A 15-Deoxy-16-hydroxy-16-chloromethyl or bromomethyl prostaglandins of the E and F series AMERICAN CYANAMID COMPANY (US) 1980-10-07 US disclosed
US-3970704-A Alkoxy substituted aliphatic di-olefinic halides ZOECON CORPORATION (US) 1976-07-20 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 (1 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-20130165683-A1 NEW ROUTE TO SYNTHETIC ANALOGUES OF ROCAGLAMIDE AND AGLAFOLINE USING CASCADE TRANSFORMATIONS INITIATED BY OXY-COPE REARRANGEMENT OF BIS-ALKYNES COASY, RIMKLA, ACSL3 ALDH1A1 1262/4885ABCB1 1219/4885CYP3A4 136/4885

“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.