SCHEMBL17586554

SCHEMBL17586554

Cc1ccc(CC(C)C)cc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C2 P52895 2/20 0.49
▸ AKR1C1 Q04828 1/20 0.49
▸ PTGS1 P23219 4/20 0.47
▸ PTGS2 P35354 4/20 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
▸ CXCL8 P10145 1/20 0.47
▸ TSHR P16473 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
SCHEMBL10159905 0.86 AKR1C2 (0.49) AKR1C2AKR1C1PTGS1PTGS2LMNA
SCHEMBL1355668 0.85 AKR1C2 (0.51) AKR1C2AKR1C1PTGS1PTGS2LMNA
SCHEMBL28404030 0.83 GABRA1 (0.42) AKR1C2AKR1C1PTGS1PTGS2LMNA
SCHEMBL4959120 0.82 KLKB1 (0.65) AKR1C2AKR1C1PTGS1PTGS2LMNA
SCHEMBL6859574 0.81 KLKB1 (0.62) ESR1TSHRHMGB1CXCL12KLKB1
SCHEMBL15592319 0.81 AKR1C2 (0.48) AKR1C2AKR1C1PTGS1PTGS2LMNA
SCHEMBL15936058 0.81 AKR1C2 (0.58) AKR1C2AKR1C1PTGS1PTGS2LMNA
SCHEMBL11214506 0.81 ALDH1A1 (0.66) AKR1C2AKR1C1PTGS1PTGS2LMNA
SCHEMBL17586553 0.80 GRIN2D (0.58) LMNARARBCASRHMGB1CXCL12
SCHEMBL13652492 0.79 ALDH1A1 (0.50) AKR1C2AKR1C3RARBHMGB1CXCL12

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 AKR1C2 374/4885AKR1C1 342/4885PTGS1 1076/4885
US-20170218299-A1 ORGANIC COMPOUNDS AOX1, TYR, ALK AKR1C2 374/4885AKR1C1 342/4885PTGS1 1076/4885
US-10457891-B2 Organic compounds AOX1, TYR, ALK AKR1C2 374/4885AKR1C1 342/4885PTGS1 1076/4885

“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.

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