SCHEMBL105847

SCHEMBL105847

COc1ccccc1CCl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.57
TAAR1 Q96RJ0 1/20 0.57
CHRM2 P08172 4/20 0.55
CHRM1 P11229 1/20 0.55
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
CA7 P43166 2/20 0.55
CA9 Q16790 2/20 0.55
CA12 O43570 1/20 0.55
CA4 P22748 1/20 0.55
CA14 Q9ULX7 1/20 0.55
ALDH1A1 P00352 2/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
SIGMAR1 Q99720 1/20 0.50
AOC3 Q16853 1/20 0.50
GRIN1 Q05586 3/20 0.48
GRIN2A Q12879 3/20 0.48
BCHE P06276 2/20 0.48
ACHE P22303 2/20 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
SCHEMBL467588 0.98 IDO1 (0.55) IDO1TAAR1CHRM2CHRM1CA1
SCHEMBL15049434 0.98 IDO1 (0.55) IDO1TAAR1CHRM2CHRM1CA1
(Chloromethyl)Benzene SCHEMBL7147244 0.90 ABCB1 (0.51) IDO1TAAR1CHRM2CHRM1CA1
Acetone SCHEMBL27450214 0.90 MTNR1A (0.56) IDO1TAAR1CHRM2CHRM1ALDH1A1
SCHEMBL18496497 0.83 HTR7 (0.49) IDO1TAAR1CHRM2CHRM1CA1
SCHEMBL6054608 0.82 TAAR1 (0.64) IDO1TAAR1CHRM2CHRM1CA1
SCHEMBL11722354 0.80 IDO1 (0.42) IDO1TAAR1CHRM2CHRM1CA1
SCHEMBL2500056 0.80 SMN1; SMN2 (0.50) CA1CA2CA12CA14ALDH1A1
SCHEMBL1415272 0.80 IDO1 (0.42) IDO1TAAR1CHRM2CHRM1CA1
SCHEMBL9860753 0.80 IDO1 (0.42) IDO1TAAR1CHRM2CHRM1CA1

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 1702 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119842078-A Polysulfone resin, preparation method thereof and polymer product 深圳市沃特新材料股份有限公司 2025-04-18 CN claimed
CN-118439936-A Method for preparing anisic aldehyde by using p-methoxybenzyl chloride 山东新和成药业有限公司 2024-08-06 CN claimed
CN-110540526-B Carane acidyl 1,2, 3-triazole compound and preparation method and application thereof 广西大学 2022-08-30 CN claimed
US-10633470-B2 Method of producing a conjugated diene polymer, a modified conjugated diene polymer, and a vinyl cis-polybutadiene composition UBE INDUSTRIES, LTD. (JP) 2020-04-28 US claimed
US-10590145-B2 Tetrahydrothiopyranopyrimidine derivatives as anti-HIV agent SHANDONG UNIVERSITY (CN) 2020-03-17 US claimed
US-20200031844-A1 Tetrahydrothiopyranopyrimidine derivatives as anti-HIV agent SHANDONG UNIVERSITY (CN) 2020-01-30 US claimed
CN-110540526-A Carane acidyl 1,2, 3-triazole compound and preparation method and application thereof UNIV GUANGXI 2019-12-06 CN claimed
WO-2019196370-A1 FIVE-MEMBERED NON AROMATIC RING-PYRIMIDINE HIV-1 REVERSE TRANSCRIPTASE INHIBITOR, PREPARATION METHOD THEREFOR, AND USES THEREOF 山东大学 2019-10-17 WO claimed
WO-2019196369-A1 THIAZOLO-PYRIMIDINE HIV-1 REVERSE TRANSCRIPTASE INHIBITOR, PREPARATION METHOD THEREFOR, AND USES THEREOF 山东大学 2019-10-17 WO claimed
US-20190256628-A1 Method of Producing a Conjugated Diene Polymer, a Modified Conjugated Diene Polymer, and a Vinyl Cis-Polybutadiene Composition UBE INDUSTRIES, LTD. (JP) 2019-08-22 US claimed
CN-103038923-A Rechargeable battery, functional polymer, and method for synthesis thereof POLYTHIONE CO LTD 2013-04-10 CN claimed
CN-102993031-A Preparation process of aromatic polyoxyalkyl quaternary ammonium compound BEIJING SUNPU BIOCHEMISTRY TECHNOLOGY CO LTD 2013-03-27 CN claimed
CN-102553546-A High-molecule adsorption material NO 63971 TROOPS PLA 2012-07-11 CN claimed
CN-102477019-A Novel method for producing S-3-hydroxytetrahydrofuran SUZHOU CHIREACH BIOLOG MEDICAL TECHNOLOGY CO LTD 2012-05-30 CN claimed
EP-2094292-A2 NITRIC OXIDE-BLOCKED CROSS-LINKED TETRAMERIC HEMOGLOBIN Ikor, Inc. (US) 2009-09-02 EP claimed
WO-2008051689-A2 NITRIC OXIDE-BLOCKED CROSS-LINKED TETRAMERIC HEMOGLOBIN IKOR, INC. (US) 2008-05-02 WO claimed
US-5565602-A REACTING A HYDROCARBYL CHLORIDE WITH A CARBONYL SULFIDE AND AMINE IN PRESENCE OF A BASIC CATALYST PHILLIPS PETROLEUM COMPANY (US) 1996-10-15 US claimed
US-4248779-A REACTING CARBONYL SULFIDE WITH A SECONDARY AMINE AND REACTING THE AMINE SALT WITH A HALOHYDROCARBON IHARA CHEMICAL INDUSTRY COMPANY, LIMITED (JP) 1981-02-03 US claimed
US-4059610-A Process for preparing isocyanic acid derivatives KAO SOAP CO., LTD. (JA) 1977-11-22 US claimed
US-4058566-A Separation of isomers of phenols and phenolic ethers UOP INC. (US) 1977-11-15 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 (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-10590145-B2 Tetrahydrothiopyranopyrimidine derivatives as anti-HIV agent TYMP, DPYD, TPMT IDO1 1368/4885TAAR1 4783/4885CHRM2 4847/4885
US-20200031844-A1 Tetrahydrothiopyranopyrimidine derivatives as anti-HIV agent TYMP, DPYD, TPMT IDO1 1368/4885TAAR1 4783/4885CHRM2 4847/4885

“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.