SCHEMBL84200

SCHEMBL84200

C=C[C](c1ccccc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.56
TSHR P16473 4/20 0.41
ALDH1A1 P00352 3/20 0.41
CES1 P23141 3/20 0.41
CES2 O00748 2/20 0.41
DAO P14920 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
TDP1 Q9NUW8 3/20 0.40
MAPK1 P28482 2/20 0.40
TGM2 P21980 1/20 0.39
F2 P00734 2/20 0.38
CYP3A4 P08684 2/20 0.38
MAPT P10636 2/20 0.38
BLM P54132 2/20 0.38
CA2 P00918 2/20 0.38
CA4 P22748 2/20 0.38
F10 P00742 1/20 0.38
F12 P00748 1/20 0.38
F7 P08709 1/20 0.38
F3 P13726 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
SCHEMBL9422531 1.00 AKT1 (0.56) AKT1TSHRALDH1A1CES1CES2
SCHEMBL2185852 0.79 AKT1 (0.59) AKT1TSHRALDH1A1CES1CES2
SCHEMBL630088 0.77 AKT1 (0.56) AKT1TSHRALDH1A1CES1CES2
SCHEMBL23328518 0.77 AKT1 (0.56) AKT1TSHRALDH1A1CES1CES2
SCHEMBL313871 0.77 AKT1 (0.56) AKT1TSHRALDH1A1CES1CES2
SCHEMBL5520722 0.75 NR4A1 (0.50) AKT1ALDH1A1TGM2CYP3A4CYP2C19
SCHEMBL108144 0.74 AKT1 (0.54) AKT1TSHRALDH1A1CES1CES2
SCHEMBL7190703 0.74 ALDH5A1 (0.58) TSHRALDH1A1MAPK1CYP3A4MAPT
SCHEMBL17845920 0.72 AKT1 (0.41) AKT1TSHRALDH1A1CES1CES2
SCHEMBL20995401 0.72 AKT1 (0.52) AKT1TSHRALDH1A1CES1CES2

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 1073 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117229483-A Amide potassium complex for catalyzing lactide ring-opening polymerization and preparation method thereof 北京服装学院 2023-12-15 CN claimed
CN-116120302-A 2, 3-disubstituted oxazolidine 4-ketone compound and preparation and application thereof 上海鸿恒生物医药科技有限公司 2023-05-16 CN claimed
US-20220380608-A1 Flame Retardant Mechanical Foam STAHL INTERNATIONAL B.V. (NL) 2022-12-01 US claimed
CN-114846090-A Flame-retardant mechanical foam 斯塔尔国际有限公司 2022-08-02 CN claimed
CN-114262307-A 3- (3-cyclopropane substituted phenyl-4-thiazolinone) -N-aryl benzamide compound and application thereof 上海鸿恒生物医药科技有限公司 2022-04-01 CN claimed
CN-114262325-A 3- (3- (heteroaryl) -4-thiazolinone) -N-aryl benzamide compound and synthesis and application thereof 上海鸿恒生物医药科技有限公司 2022-04-01 CN claimed
CN-114262305-A Alkynyl-substituted thiazolinone-based-N-aryl benzamide compound and preparation method and application thereof 上海鸿恒生物医药科技有限公司 2022-04-01 CN claimed
WO-2021133169-A1 FLAME RETARDANT MECHANICAL FOAM STAHL INTERNATIONAL B.V. (NL) 2021-07-01 WO claimed
CN-107207421-B Novel trifluoromethylpropionamide derivatives 豪夫迈·罗氏有限公司 2021-04-20 CN claimed
US-20200306253-A1 Therapeutic Modulators of the Reverse Mode of ATP Synthase FORREST MICHAEL DAVID (GB) 2020-10-01 US claimed
EP-0003081-A2 Thiazolidinecarbothioamides, their preparation, compositions and use as insecticides ELI LILLY AND COMPANY (US) 1979-07-25 EP claimed
EP-0002938-A2 Novel heterocyclic carbothioamides, compositions containing them, their preparation and use ELI LILLY AND COMPANY (US) 1979-07-11 EP claimed
EP-0002939-A2 Novel carbothioamides, compositions containing them and their preparation ELI LILLY AND COMPANY (US) 1979-07-11 EP claimed
EP-0001149-A1 Process for the preparation of 3-bromomethyl-3-cephem-sulphoxide derivatives GIST-BROCADES N.V. (NL) 1979-03-21 EP claimed
US-4107138-A Phosphonous and thiophosphonous acid ethers as stabilizers for organic materials SANDOZ LTD. (CH) 1978-08-15 US claimed
US-4087408-A Bromine and phosphorus containing polyester MONSANTO COMPANY (US) 1978-05-02 US claimed
US-3997534-A PARASITICIDES, NEMATOCIDES HOECHST AKTIENGESELLSCHAFT (DT) 1976-12-14 US claimed
US-3966932-A PLANTSORGANISMS HOECHST AKTIENGESELLSCHAFT (DT) 1976-06-29 US claimed
US-3962259-A TRANQUILIZERS, ANALGETIC AGENTS AMERICAN HOECHST CORPORATION (US) 1976-06-08 US claimed
US-3959475-A ANTIDEPRESSANT, TRANQUILIZER, ANALGESIC AMERICAN HOECHST CORPORATION (US) 1976-05-25 US claimed

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-20200306253-A1 Therapeutic Modulators of the Reverse Mode of ATP Synthase ATP5ME, ATP5F1A, ATP5MG AKT1 2402/4885TSHR 4201/4885ALDH1A1 925/4885

“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.