SCHEMBL939704

SCHEMBL939704

c1ccc2c(Pc3cccc4ccccc34)cccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.50
HSD17B10 Q99714 7/20 0.50
TSHR P16473 4/20 0.50
CYP2A6 P11509 3/20 0.50
TDP1 Q9NUW8 1/20 0.50
CYP1A2 P05177 6/20 0.46
HPGD P15428 4/20 0.46
CYP3A4 P08684 3/20 0.46
KEAP1 Q14145 1/20 0.46
HPRT1 P00492 1/20 0.46
HIF1A Q16665 2/20 0.42
CYP1B1 Q16678 1/20 0.42
THRB P10828 1/20 0.42
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
NR4A1 P22736 1/20 0.39
NR4A2 P43354 1/20 0.39
NR4A3 Q92570 1/20 0.39
ATM Q13315 2/20 0.38
TP53 P04637 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
SCHEMBL30066582 1.00 ALDH1A1 (0.50) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL5183148 0.97 ALDH1A1 (0.48) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL184339 0.97 ALDH1A1 (0.55) ALDH1A1HSD17B10TSHRCYP2A6TDP1
Hydrochloric Acid SCHEMBL28717387 0.97 ALDH1A1 (0.48) ALDH1A1HSD17B10TSHRCYP2A6TDP1
Hydrochloric Acid SCHEMBL3809505 0.97 ALDH1A1 (0.48) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL29585116 0.87 ALDH1A1 (0.44) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL28471772 0.87 CYP1A2 (0.41) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL1925928 0.87 ALDH1A1 (0.44) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL15655937 0.87 CYP2A6 (0.58) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL5397303 0.85 ALDH1A1 (0.42) ALDH1A1HSD17B10TSHRCYP2A6TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115340572-A Diphosphine ligand containing xanthene skeleton and synthesis and application thereof 南方科技大学 2022-11-15 CN claimed
CN-112876376-B Synthesis method of allyl aryl compound 山东领海生物科技有限公司 2022-11-01 CN claimed
CN-114805430-A Preparation method of seleno-phosphide and thiophosphite 烟台大学 2022-07-29 CN claimed
CN-114685408-A Preparation method of alkyl furan compound 华南理工大学 2022-07-01 CN claimed
CN-112876376-A Synthesis method of allyl aryl compound 山东领海生物科技有限公司 2021-06-01 CN claimed
EP-2481760-B1 INITIATOR SYSTEM FOR CATIONIC POLYMERIZATION AND POLYMERIZATION METHOD USING SAME CHINA PETROLEUM & CHEM CORP (CN) 2021-05-05 EP claimed
CN-108031493-B Catalyst system for selective oligomerization of ethylene and ethylene oligomerization reaction method 天津科技大学 2020-11-06 CN claimed
EP-3351523-B1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME LG CHEMICAL LTD (KR) 2020-11-04 EP claimed
US-5324861-A Selective hydrogenation of olefins, ketones, imines TAKASAGO INTERNATIONAL CORPORATION (JP) 1994-06-28 US claimed
US-5274146-A Water-soluble alkali metal sulfonate-substituted binaphthylphosphine transition metal complex and enantioselective hydrogenation method using it TAKASAGO INTERNATIONAL CORPORATION (JP) 1993-12-28 US claimed
EP-0544455-A1 Water-soluble alkali metal sulfonate-substituted binaphthylphosphine transition metal complex and enantioselective hydrogenation method using it TAKASAGO INTERNATIONAL CORPORATION (JP) 1993-06-02 EP claimed
US-20250331356-A1 PEROVSKITE BASED PHOTOVOLTAIC CELLS AND PROCESS FOR PREPARING THE SAME SUNXT S.R.L. (IT) 2025-10-23 US disclosed
EP-4537641-A1 PEROVSKITE BASED PHOTOVOLTAIC CELLS AND PROCESS FOR PREPARING THE SAME Eni S.p.A. (IT) 2025-04-16 EP disclosed
US-20250100972-A1 COMPOUND, RUBBER BLEND CONTAINING THE COMPOUND, VEHICLE TIRE COMPRISING THE RUBBER BLEND IN AT LEAST ONE COMPONENT, PROCESS FOR PRODUCING THE COMPOUND, AND USE OF THE COMPOUND AS AN AGEING PROTECTANT AND/OR ANTIOZONANT AND/OR DYE CONTINENTAL REIFEN DEUTSCHLAND GMBH (DE) 2025-03-27 US disclosed
US-12234320-B2 Process for preparing polycarbonate and catalytic system used ENI S.P.A. (IT) 2025-02-25 US disclosed
US-4255352-A TANK REACTORS IN SERIES PHILLIPS PETROLEUM COMPANY (US) 1981-03-10 US disclosed
US-4218394-A FROM UNSATURATED NITRILES AND OLEFINS PHILLIPS PETROLEUM COMPANY (US) 1980-08-19 US disclosed
US-4217303-A UNSATURATED HYDROCARBON, ADDUCT, UNSATURATED DINITRILE, BY-PRODUCT INHIBITION PHILLIPS PETROLEUM COMPANY (US) 1980-08-12 US disclosed
US-3996262-A Method of promoting the reaction of unsaturated nitriles with olefins to produce unsaturated nitriles of increased carbon number PHILLIPS PETROLEUM COMPANY (US) 1976-12-07 US disclosed
US-3985786-A REACTING AN OLEFINICALLY UNSATURATED NITRILE, AN OLEFINIC HYDROCARBON AND THEIR MONOADDUCT IN WATER PHILLIPS PETROLEUM COMPANY (US) 1976-10-12 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-20250100972-A1 COMPOUND, RUBBER BLEND CONTAINING THE COMPOUND, VEHICLE TIRE COMPRISING THE RUBBER BLEND IN AT LEAST ONE COMPONENT, PROCESS FOR PRODUCING THE COMPOUND, AND USE OF THE COMPOUND AS AN AGEING PROTECTANT AND/OR ANTIOZONANT AND/OR DYE TERT, POT1, RIF1 ALDH1A1 2119/4885HSD17B10 1593/4885TSHR 658/4885
US-12234320-B2 Process for preparing polycarbonate and catalytic system used F9, TAF9, TAF11 ALDH1A1 2662/4885HSD17B10 1073/4885TSHR 3908/4885

“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.