SCHEMBL9967682

SCHEMBL9967682

CCc1ccc(C(C)C)o1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
ALOX5 P09917 3/20 0.34
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
G6PC1 P35575 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL4986327 0.82 ALOX5 (0.34) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL24972582 0.81 ALOX5 (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8224692 0.78 CYP2A6 (0.42) ALOX5
SCHEMBL17929805 0.78 ALOX5 (0.30) ALOX5
SCHEMBL9967681 0.78 ALDH1A1 (0.43) ALOX5G6PC1NPC1RAB9AALDH1A1
SCHEMBL45858 0.78
SCHEMBL827337 0.78 ALOX5 (0.55) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL18412746 0.76 ALOX5 (0.38) ALOX5MEN1KMT2ANPC1RAB9A
SCHEMBL12508123 0.76 ALOX5 (0.56) ALOX5NPC1RAB9A
SCHEMBL14450192 0.75 SLC6A4 (0.35) CHRM2CHRM4CHRM5CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230381159-A1 SMALL MOLECULE INHIBITORS OF CORONAVIRUS ATTACHMENT AND ENTRY, METHODS AND USES THEREOF UNIVERSITY OF MIAMI 2023-11-30 US disclosed
US-11820759-B2 Modulators of chemokine receptors CHEMOCENTRYX, INC. (US) 2023-11-21 US disclosed
US-11820759-B2 Modulators of chemokine receptors CHEMOCENTRYX, INC. (US) 2023-11-21 US disclosed
US-20230049402-A1 NOVEL PHENOL COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO. LTD. (JP) 2023-02-16 US disclosed
US-11345690-B2 Methods of synthesizing a difluorolactam analog CAYMAN CHEMICAL COMPANY, INC. (US) 2022-05-31 US disclosed
US-20220127252-A9 METHODS OF SYNTHESIZING A DIFLUOROLACTAM ANALOG CAYMAN CHEMICAL CO INC (US) 2022-04-28 US disclosed
US-20220009912-A1 MODULATORS OF CHEMOKINE RECEPTORS CHEMOCENTRYX, INC. 2022-01-13 US disclosed
US-20210380574-A1 ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER VANDERBILT UNIVERSITY 2021-12-09 US disclosed
US-11111259-B2 Acylsulfonamide derivatives for treating senescence-associated diseases and disorders UNITY BIOTECHNOLOGY, INC. (US) 2021-09-07 US disclosed
US-10988464-B2 Modulators of chemokine receptors CHEMOCENTRYX, INC. (US) 2021-04-27 US disclosed
WO-2012142245-A2 PEPTIDE MIMETIC LIGANDS OF POLO-LIKE KINASE 1 POLO BOX DOMAIN AND METHODS OF USE THE GOVERNMENT OF THE UNITED OF AMERIA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 2012-10-18 WO disclosed
US-20120208889-A1 CLASS- AND ISOFORM-SPECIFIC HDAC INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUE, INC. (US) 2012-08-16 US disclosed
US-20120196855-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD. (SG) 2012-08-02 US disclosed
US-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones BAYER CROPSCIENCE AG (DE) 2012-06-21 US disclosed
EP-2010289-B1 BENZOAZEPIN-OXY-ACETIC ACID DERIVATIVES AS PPAR-DELTA AGONISTS USED FOR THE INCREASE OF HDL-C, LOWER LDL-C AND LOWER CHOLESTEROL JANSSEN PHARMACEUTICA NV (BE) 2011-11-30 EP disclosed
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-10-14 US disclosed
US-20100093721-A1 PHENYL AND HETEROARYL SUBSTITUTED THIENO[2,3-d]PYRIMIDINES AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2010-04-15 US disclosed
US-7205328-B2 Aids viricide IRM LLC (BM) 2007-04-17 US disclosed
US-7205328-B2 Aids viricide IRM LLC (BM) 2007-04-17 US disclosed
US-7166617-B2 Cyclic amide derivatives MITSUBISHI PHARMA CORPORATION (JP) 2007-01-23 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 (14 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-10988464-B2 Modulators of chemokine receptors CCR5, CXCR3, CCR2 CHRM2 2240/4885CHRM4 1643/4885CHRM5 2090/4885
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 CHRM2 4855/4885CHRM4 4823/4885CHRM5 4774/4885
US-11820759-B2 Modulators of chemokine receptors CCR5, CXCR3, CCR2 CHRM2 2240/4885CHRM4 1643/4885CHRM5 2090/4885
US-20230381159-A1 SMALL MOLECULE INHIBITORS OF CORONAVIRUS ATTACHMENT AND ENTRY, METHODS AND USES THEREOF ACE2, ACE, SARS1 CHRM2 3836/4885CHRM4 2724/4885CHRM5 1961/4885
US-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones DHPS, FDPS, DPYD CHRM2 4745/4885CHRM4 4755/4885CHRM5 4846/4885
US-20120196855-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES DPYD, TK2, TK1 CHRM2 4853/4885CHRM4 4846/4885CHRM5 4791/4885
US-20120208889-A1 CLASS- AND ISOFORM-SPECIFIC HDAC INHIBITORS AND USES THEREOF HDAC1, HDAC5, HDAC6 CHRM2 4817/4885CHRM4 4848/4885CHRM5 4779/4885
US-11345690-B2 Methods of synthesizing a difluorolactam analog PTGER4, PTGER1, PTGIR CHRM2 49/4885CHRM4 31/4885CHRM5 107/4885
US-11111259-B2 Acylsulfonamide derivatives for treating senescence-associated diseases and disorders ACAT1, ARSA, GLA CHRM2 4568/4885CHRM4 4739/4885CHRM5 4792/4885
US-20220009912-A1 MODULATORS OF CHEMOKINE RECEPTORS CCR5, CXCR3, CCR2 CHRM2 2240/4885CHRM4 1643/4885CHRM5 2090/4885
US-20230049402-A1 NOVEL PHENOL COMPOUND OR SALT THEREOF MYB, MLX, EP300 CHRM2 160/4885CHRM4 311/4885CHRM5 204/4885
US-20100093721-A1 PHENYL AND HETEROARYL SUBSTITUTED THIENO[2,3-d]PYRIMIDINES AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS ADORA2A, ADORA3, ADORA2B CHRM2 83/4885CHRM4 310/4885CHRM5 121/4885
US-20220127252-A9 METHODS OF SYNTHESIZING A DIFLUOROLACTAM ANALOG PTGER4, PTGER1, PTGIR CHRM2 49/4885CHRM4 31/4885CHRM5 107/4885
US-20210380574-A1 ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER RSU1, KRAS, NRAS CHRM2 1190/4885CHRM4 3560/4885CHRM5 2135/4885

“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.