SCHEMBL6097869

SCHEMBL6097869

CCC(Oc1cc(Cl)ccc1C)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.59
PTGDR2 Q9Y5Y4 5/20 0.55
TSHR P16473 1/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
HTR2B P41595 1/20 0.50
PPARA Q07869 9/20 0.49
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
PPARG P37231 6/20 0.47
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL2597641 1.00 SMN1; SMN2 (0.59) SMN1; SMN2PTGDR2TSHRHTR2AHTR2C
SCHEMBL2210931 0.88 TSHR (0.66) SMN1; SMN2PTGDR2TSHRHTR2AHTR2C
SCHEMBL2597640 0.88 TSHR (0.66) SMN1; SMN2PTGDR2TSHRHTR2AHTR2C
SCHEMBL11212441 0.86 POLB (0.63) SMN1; SMN2PTGDR2TSHRHTR2AHTR2C
SCHEMBL8853494 0.85 TSHR (0.55) SMN1; SMN2PTGDR2TSHRHTR2AHTR2C
SCHEMBL8935907 0.84 SMN1; SMN2 (0.62) SMN1; SMN2PTGDR2TSHRHTR2BPPARA
SCHEMBL8935915 0.84 SMN1; SMN2 (0.62) SMN1; SMN2PTGDR2TSHRHTR2BPPARA
Dimethylamine SCHEMBL28258492 0.84 TSHR (0.61) SMN1; SMN2PTGDR2TSHRHTR2AHTR2C
SCHEMBL9780844 0.83 PPARA (0.68) SMN1; SMN2PTGDR2TSHRHTR2AHTR2C
SCHEMBL541271 0.83 PPARA (0.68) SMN1; SMN2PTGDR2TSHRHTR2AHTR2C

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101448776-A Glyceride ester derivatives of herbicidal compounds and compositions thereof NUFARM AUSTRALIA LTD (AU) 2009-06-03 CN claimed
CN-114867350-A Low volatility polyamine salts of anionic pesticides 巴斯夫公司 2022-08-05 CN disclosed
CN-101448776-A Glyceride ester derivatives of herbicidal compounds and compositions thereof NUFARM AUSTRALIA LTD (AU) 2009-06-03 CN disclosed
US-7002020-B1 Oxazolidinone combinatorial libraries, compositions and methods of preparation PHARMACIA & UPJOHN COMPANY (US) 2006-02-21 US disclosed
US-20050004174-A1 Antibacterial agents GORDEEV MIKHAIL F (US) 2005-01-06 US disclosed
US-6562844-B2 Attaching an olefin to a solid support; oxidizing the olefin to provide an epoxide functionality; opening the epoxide with an amine to form an amino alcohol; cyclizing the amino alcohol using a phosgene equivalent PHARMACIA & UPJOHN COMPANY 2003-05-13 US disclosed
US-6531470-B1 Antimicrobial compounds PHARMACIA & UPJOHN COMPANY 2003-03-11 US disclosed
EP-1049682-A1 OXAZOLIDINONE COMBINATORIAL LIBRARIES, COMPOSITIONS AND METHODS OF PREPARATION Versicor, Inc. (US) 2000-11-08 EP disclosed
WO-1999037630-A1 OXAZOLIDINONE COMBINATORIAL LIBRARIES, COMPOSITIONS AND METHODS OF PREPARATION VERSICOR, INC. (US) 1999-07-29 WO 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 (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-20050004174-A1 Antibacterial agents PAICS, OXA1L, PNKP SMN1; SMN2 202/4885PTGDR2 3979/4885TSHR 4716/4885

“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.