SCHEMBL17586552

SCHEMBL17586552

Cc1cc(CC(C)C)cc(C)c1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.44
PTGS2 P35354 4/20 0.44
LMNA P02545 2/20 0.44
CYP2C9 P11712 2/20 0.44
AKR1C3 P42330 2/20 0.44
CXCR1 P25024 2/20 0.44
CXCR2 P25025 2/20 0.44
AKR1C2 P52895 2/20 0.44
ALB P02768 1/20 0.44
ESR1 P03372 1/20 0.44
ALOX5 P09917 1/20 0.44
RARB P10826 1/20 0.44
ADRB3 P13945 1/20 0.44
NFKB1 P19838 1/20 0.44
HTR2A P28223 1/20 0.44
NR1I3 Q14994 1/20 0.44
SLC22A6 Q4U2R8 1/20 0.44
CXCL8 P10145 1/20 0.44
TSHR P16473 1/20 0.44
BLM P54132 1/20 0.44

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
SCHEMBL25265001 0.86 PTGS1 (0.39) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL18878384 0.84 FFAR1 (0.42) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL12337258 0.81 GSK3B (0.36) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL5581994 0.80 HMGB1 (0.59) LMNAESR1CYP3A4ACHEKDM4E
SCHEMBL8148872 0.79 GABRA1 (0.50) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL10456973 0.78 CYP3A4 (0.47) PTGS1PTGS2TSHRCYP3A4ACHE
SCHEMBL15957662 0.78 CYP3A4 (0.47) LMNACYP3A4ACHEKDM4EL3MBTL1
SCHEMBL10159905 0.77 AKR1C2 (0.49) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL1355428 0.77 PTGS1 (0.46) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL16653943 0.77 PTGS1 (0.46) PTGS1PTGS2LMNACYP2C9AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3581554-B1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2022-04-20 EP disclosed
US-10457891-B2 Organic compounds GIVAUDAN S.A. (CH) 2019-10-29 US disclosed
EP-2994448-B1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2019-07-31 EP disclosed
US-9988592-B2 Organic compounds Givaudan, S.A. (CH) 2018-06-05 US disclosed
US-9988592-B2 Organic compounds Givaudan, S.A. (CH) 2018-06-05 US disclosed
US-20170218299-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2017-08-03 US disclosed
US-20170218299-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2017-08-03 US disclosed
US-9656938-B2 Organic compounds GIVAUDAN S.A. (CH) 2017-05-23 US disclosed
US-9656938-B2 Organic compounds GIVAUDAN S.A. (CH) 2017-05-23 US disclosed
US-20160075627-A1 ORGANIC COMPOUNDS GIVAUDAN S.A. (CH) 2016-03-17 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 (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-20160075627-A1 ORGANIC COMPOUNDS AOX1, TYR, ALK PTGS1 1076/4885PTGS2 1434/4885LMNA 3515/4885
US-20170218299-A1 ORGANIC COMPOUNDS AOX1, TYR, ALK PTGS1 1076/4885PTGS2 1434/4885LMNA 3515/4885
US-10457891-B2 Organic compounds AOX1, TYR, ALK PTGS1 1076/4885PTGS2 1434/4885LMNA 3515/4885

“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.