SCHEMBL95901

SCHEMBL95901

Cc1ccc(O[C]=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.48
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
LMNA P02545 2/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
TEAD4 Q15561 1/20 0.41
ALDH1A1 P00352 3/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RELA Q04206 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MMP13 P45452 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL8142070 0.86 CA2 (0.32) CA1CA2CA9
SCHEMBL2496298 0.80 CYP2A6 (0.54) ACHECYP3A4TSHRLMNACA9
SCHEMBL96667 0.79 CA1 (0.58) ACHECYP3A4CA1CA2CA9
SCHEMBL987071 0.75 ACHE (0.44) ACHECYP3A4TSHRLMNACA1
SCHEMBL4867495 0.74 MEN1 (0.50) CYP3A4LMNACA1CA2CA9
SCHEMBL1190705 0.74 ALDH1A1 (0.46) CYP3A4TSHRLMNACA1CA9
SCHEMBL7003904 0.74 CA1 (0.43) CA1CA2CA9CES2CES1
SCHEMBL95869 0.74 SOS1 (0.39) ACHECA1CA2CA9ALDH1A1
SCHEMBL8494742 0.74 ACHE (0.48) ACHECYP3A4TSHRLMNACA1
SCHEMBL96632 0.74 MEN1 (0.43) CYP3A4LMNACA1CA2CA9

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 1827 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117105805-A Tyrosine alkene etherification reaction and directional modification of polypeptide or protein tyrosine 浙江工业大学 2023-11-24 CN claimed
CN-103869613-A Colored hardening composite, pattern hardeninig colored layer using same, colored filter and liquid crystal display device SUMITOMO CHEMICAL CO 2014-06-18 CN claimed
CN-101598897-B Colored curable composition, pattern-cured colored layer using same, color filter, and liquid crystal display device SUMITOMO CHEMICAL CO 2014-05-14 CN claimed
US-20100237770-A1 GOLD COMPLEX AND PROCESS FOR PREPARING THE SAME, AND ORGANIC ULTRAVIOLET ELECTROLUMINESCENT DEVICE USING SAID GOLD COMPLEX UBE INDUSTRIES, LTD. (JP) 2010-09-23 US claimed
EP-2088151-A1 GOLD COMPLEX, METHOD FOR PRODUCTION OF THE GOLD COMPLEX, AND ORGANIC ULTRAVIOLET ELECTROLUMINESCENT ELEMENT USING THE GOLD COMPLEX Ube Industries, Ltd. (JP) 2009-08-12 EP claimed
US-6888001-B2 Selective modulators of the nicotinic acetylcholine receptor useful in the treatment of pain, Alzheimer's disease, memory loss or dementia or loss of motor function. LEE JUNG S (US) 2005-05-03 US claimed
EP-1134222-B1 IMIDAZO[4,5-b]PYRIDINIUMMETHYL-CONTAINING CEPHEM COMPOUNDS HAVING BROAD ANTIBACTERIAL SPECTRUM SHIONOGI & CO (JP) 2005-04-13 EP claimed
EP-1107965-B1 PYRIDYL ETHERS AND THIOETHERS AS LIGANDS FOR NICOTINIC ACETYLCHOLINE RECEPTOR AND ITS THERAPEUTIC APPLICATION ORTHO MCNEIL PHARM INC (US) 2004-08-11 EP claimed
US-20030207858-A1 Selective modulators of the nicotinic acetylcholine receptor useful in the treatment of pain, Alzheimer's disease, memory loss or dementia or loss of motor function. LEE JUNG S (US) 2003-11-06 US claimed
CN-1125064-C 3-pyridyl enantiomers and their use as analgesics ABBOTT LAB (US) 2003-10-22 CN claimed
US-4788185-A Cephalosporin compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-11-29 US claimed
EP-0204775-A1 AMINO ACID AND PEPTIDE INHIBITORS OF HUMAN LEUCOCYTIC ELASTASE AUSTRALIAN COMMERCIAL RESEARCH & DEVELOPMENT LIMITED (AU) 1986-12-17 EP claimed
WO-1986003746-A1 AMINO ACID AND PEPTIDE INHIBITORS OF HUMAN LEUCOCYTIC ELASTASE LA TROBE UNIVERSITY (AU) 1986-07-03 WO claimed
US-4323567-A BACTERICIDES NARISADA MASAYUKI 1982-04-06 US claimed
US-4268671-A PERINONE DYES USED FOR DYEING POLYESTERS MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) 1981-05-19 US claimed
US-4180571-A Arylmalonamido-1-oxadethiacephalosporins SHIONOGI & CO., LTD. (JP) 1979-12-25 US claimed
US-4138486-A BACTERICIDES SHIONOGI & CO., LTD. (JP) 1979-02-06 US claimed
US-4113495-A 2,4,4-TRIMETHYL-2-(2,5-DIHYDROXYPHENYL)-6-HYDROXY-CHROMANS FUJI PHOTO FILM CO., LTD. (JP) 1978-09-12 US claimed
US-3991042-A Basic azo dyestuffs containing a benzthiazole and a tetrahydroquinoline nucleus BAYER AKTIENGESELLSCHAFT (DT) 1976-11-09 US claimed
US-3948877-A POLYACRYLONITRILE, ACID MODIFIED POLYESTERS OR POLYAMIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-04-06 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-20100237770-A1 GOLD COMPLEX AND PROCESS FOR PREPARING THE SAME, AND ORGANIC ULTRAVIOLET ELECTROLUMINESCENT DEVICE USING SAID GOLD COMPLEX APOL1, UFL1, ACSL3 ACHE 1213/4885CYP3A4 1395/4885TSHR 2791/4885
US-20030207858-A1 Selective modulators of the nicotinic acetylcholine receptor useful in the treatment of pain, Alzheimer's disease, memory loss or dementia or loss of motor function. CHRM1, CHRM5, CHRM2 ACHE 9/4885CYP3A4 2727/4885TSHR 2322/4885

“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.