SCHEMBL764989

SCHEMBL764989

CC(C)Cc1ccc(Cl)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.67
SLC6A3 Q01959 1/20 0.67
SLC6A4 P31645 1/20 0.58
FAAH O00519 1/20 0.47
PTGS1 P23219 3/20 0.47
PTGS2 P35354 3/20 0.47
LMNA P02545 2/20 0.47
CYP2C9 P11712 2/20 0.47
AKR1C3 P42330 2/20 0.47
CXCR1 P25024 2/20 0.47
CXCR2 P25025 2/20 0.47
ALB P02768 1/20 0.47
ESR1 P03372 1/20 0.47
ALOX5 P09917 1/20 0.47
RARB P10826 1/20 0.47
ADRB3 P13945 1/20 0.47
NFKB1 P19838 1/20 0.47
HTR2A P28223 1/20 0.47
NR1I3 Q14994 1/20 0.47
SLC22A6 Q4U2R8 1/20 0.47

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
SCHEMBL8229348 0.93 SLC6A2 (0.59) SLC6A2SLC6A3SLC6A4FAAHPTGS1
SCHEMBL13719535 0.87 SLC6A2 (0.53) SLC6A2SLC6A3SLC6A4
SCHEMBL1131597 0.86 PTGS1 (0.56) FAAHPTGS1PTGS2LMNACYP2C9
SCHEMBL6074844 0.85 SLC6A2 (0.52) SLC6A2SLC6A3SLC6A4FAAHPTGS1
SCHEMBL6075401 0.85 SLC6A2 (0.52) SLC6A2SLC6A3SLC6A4FAAHPTGS1
Propionic Acid SCHEMBL11021438 0.84 PTGS1 (0.53) SLC6A2SLC6A3FAAHPTGS1PTGS2
SCHEMBL19523637 0.84 SLC6A2 (0.50) SLC6A2SLC6A3SLC6A4ALOX5AP
SCHEMBL5174938 0.83 PTGS1 (0.54) FAAHPTGS1PTGS2LMNACYP2C9
SCHEMBL23408429 0.82 SLC6A2 (0.53) SLC6A2SLC6A3SLC6A4ALOX5AP
SCHEMBL12585105 0.82 MAOB (0.61) SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114487184-B Method for determining 2 beta-methyl ester-3 beta- (4-chlorophenyl) tropane and related substances thereof 江苏省原子医学研究所 2023-09-22 CN claimed
EP-3363788-A1 CANNABINOID RECEPTOR MODULATORS Arena Pharmaceuticals, Inc. (US) 2018-08-22 EP claimed
EP-3089980-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2018-01-31 EP claimed
US-9670208-B2 Serine/threonine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2017-06-06 US claimed
EP-3089980-A1 SERINE/THREONINE KINASE INHIBITORS Array Biopharma, Inc. (US) 2016-11-09 EP claimed
US-20160304519-A1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-10-20 US claimed
WO-2015103137-A1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2015-07-09 WO claimed
US-20130165412-A1 CANNABINOID RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. 2013-06-27 US claimed
CN-102010323-B Method for synthesizing ibuprofen and analogues thereof USTC UNIV SCIENCE TECH CN 2013-02-13 CN claimed
US-20120214766-A1 CANNABINOID RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. 2012-08-23 US claimed
EP-0008474-A2 Pesticidal compositions containing a carbamic acid-N,N'-sulphide, combined with a synthetic pyrethroid insecticide and their use SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1980-03-05 EP claimed
EP-0005563-A1 Pesticidal compositions and their use SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1979-11-28 EP claimed
US-4151293-A MITICIDES ABBOTT LABORATORIES (US) 1979-04-24 US claimed
EP-0000962-A1 Pesticidal composition and method of combating pests SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1979-03-07 EP claimed
US-4140695-A Process for producing copper phthalocyanines IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1979-02-20 US claimed
US-4123451-A REACTING AROMATIC ALDEHYDE AND ACYL HALIDE WITH WATER AND A SOLUBLE CYANIDE IN THE PRESENCE OF A WATER-IMMISCIBLE SOLVENT SHELL OIL COMPANY (US) 1978-10-31 US claimed
US-4110363-A FROM AN ALDEHYDE, ACID HALIDE AND CYANIDE, MACROCYCLIC POLYETHER CATALYST SHELL OIL COMPANY (US) 1978-08-29 US claimed
US-4110360-A FROM AN ALDEHYDE, ACID HALIDE AND CYANIDE SHELL OIL COMPANY (US) 1978-08-29 US claimed
US-4110362-A FROM AN ALDEHYDE, ACID HALIDE AND CYANIDE, ONIUM CATALYST SHELL OIL COMPANY (US) 1978-08-29 US claimed
US-4110361-A FROM AN ALDEHYDE, ACID HALIDE AND CYANIDE, POLYETHER CATALYST SHELL OIL COMPANY (US) 1978-08-29 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 (3 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-20120214766-A1 CANNABINOID RECEPTOR MODULATORS CNR1, CNR2, TRPV1 SLC6A2 4164/4885SLC6A3 3967/4885SLC6A4 4064/4885
US-20160304519-A1 SERINE/THREONINE KINASE INHIBITORS TTBK1, MAP3K1, TNNI3K SLC6A2 735/4885SLC6A3 1082/4885SLC6A4 1132/4885
US-20130165412-A1 CANNABINOID RECEPTOR MODULATORS CNR1, CNR2, TRPV1 SLC6A2 4164/4885SLC6A3 3967/4885SLC6A4 4064/4885

“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.