SCHEMBL2171906

SCHEMBL2171906

COC(=O)Cc1cc(O)c2cc(F)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.50
GAA P10253 3/20 0.47
ALDH1A1 P00352 2/20 0.47
GFER P55789 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
CASP3 P42574 2/20 0.40
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
HK1 P19367 1/20 0.39
HKDC1 Q2TB90 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PRNP P04156 1/20 0.39
PLA2G2A P14555 2/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
CYP11B1 P15538 1/20 0.38

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
SCHEMBL2174233 0.90 HSP90AB1 (0.49) HSP90AB1GAAALDH1A1GFERL3MBTL1
SCHEMBL11467699 0.85 HSP90AB1 (0.50) HSP90AB1GAAALDH1A1GFERL3MBTL1
SCHEMBL2331533 0.85 HSP90AB1 (0.43) HSP90AB1GAAALDH1A1GFERMEN1
SCHEMBL2176876 0.84 CYP11B1 (0.51) HSP90AB1GAAALDH1A1GFERMAPT
SCHEMBL2175327 0.84 HSP90AB1 (0.49) HSP90AB1GAAALDH1A1GFERL3MBTL1
SCHEMBL11477653 0.83 HSP90AB1 (0.42) HSP90AB1GAAALDH1A1GFERL3MBTL1
SCHEMBL2175522 0.83 HSP90AB1 (0.45) HSP90AB1GAAALDH1A1GFERMEN1
SCHEMBL2171172 0.82 HSP90AB1 (0.53) HSP90AB1GAAALDH1A1GFERMEN1
SCHEMBL27822168 0.81 AKR1B1 (0.51) GAAMAPTLMNAHSD17B10HPGD
SCHEMBL11471175 0.81 GAA (0.51) HSP90AB1GAAALDH1A1GFERL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2791111-B1 [4-(PIPERIDIN-4-YL)-NAPHTHALEN-2-YL]-ACETIC ACID DERIVATIVES AS CRTH2 ANTAGONISTS FOR THE TREATMENT OF RESPIRATORY DISORDERS HOFFMANN LA ROCHE (CH) 2017-01-18 EP disclosed
EP-2791111-A1 PIPERIDINYL NAPHTHYLACETIC ACIDS F.HOFFMANN-LA ROCHE AG (CH) 2014-10-22 EP disclosed
US-8642629-B2 Naphthylacetic acids HOFFMANN-LA ROCHE INC. (US) 2014-02-04 US disclosed
US-8642629-B2 Naphthylacetic acids HOFFMANN-LA ROCHE INC. (US) 2014-02-04 US disclosed
US-8642629-B2 Naphthylacetic acids HOFFMANN-LA ROCHE INC. (US) 2014-02-04 US disclosed
EP-2358677-B1 NAPHTHYLACETIC ACIDS USED AS CRTH2 ANTAGONISTS OR PARTIAL AGONISTS HOFFMANN LA ROCHE (CH) 2014-01-08 EP disclosed
EP-2358677-B1 NAPHTHYLACETIC ACIDS USED AS CRTH2 ANTAGONISTS OR PARTIAL AGONISTS HOFFMANN LA ROCHE (CH) 2014-01-08 EP disclosed
WO-2013087544-A1 PIPERIDINYL NAPHTHYLACETIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2013-06-20 WO disclosed
US-20130150407-A1 PIPERIDINYL NAPHTHYLACETIC ACIDS HOFFMANN-LA ROCHE INC. (US) 2013-06-13 US disclosed
EP-2346819-B1 NAPHTHYLACETIC ACIDS HOFFMANN LA ROCHE (CH) 2013-04-10 EP disclosed
US-20100125061-A1 NAPHTHYLACETIC ACIDS FIROOZNIA FARIBORZ 2010-05-20 US disclosed
US-20100125061-A1 NAPHTHYLACETIC ACIDS FIROOZNIA FARIBORZ 2010-05-20 US disclosed
US-4207241-A ANALGESICS, ANTIPYRETICS, ANTIINFLAMMATORY AGENTS AND ANTIPRURITIC AGENTS SYNTEX CORPORATION (US) 1980-06-10 US disclosed
US-4097674-A ANTIINFLAMMATORY, ANTIPYRETIC, ANTIPRURITIC AGENTS, ANALGESICS SYNTEX CORPORATION (US) 1978-06-27 US disclosed
US-4051233-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC, ANTIPRURITIC SYNTEX CORPORATION (US) 1977-09-27 US disclosed
US-4001301-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS, ANTI-PRURITIC SYNTEX CORPORATION (PM) 1977-01-04 US disclosed
US-3998966-A Anti-inflammatory, analgesic, anti-pyretic and anti-pruritic 6-substituted 2-naphthyl acetic acid derivative-containing compositions and methods of use thereof SYNTEX CORPORATION (PM) 1976-12-21 US disclosed
US-3980699-A ANTIINFLAMMATORY, ANALGESICS, ANTIPYRETIC, ANTIPRURITIC SYNTEX CORPORATION (PM) 1976-09-14 US disclosed
US-3978124-A ANALGESIC, ANTIPYRETIC SYNTEX CORPORATION (PM) 1976-08-31 US disclosed
US-3978116-A ANALGESIC, ANTIPYRETIC SYNTEX CORPORATION (PM) 1976-08-31 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 (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-20100125061-A1 NAPHTHYLACETIC ACIDS HRH2, HRH1, HRH3 HSP90AB1 4432/4885GAA 617/4885ALDH1A1 1016/4885
US-20130150407-A1 PIPERIDINYL NAPHTHYLACETIC ACIDS HRH2, HRH1, HRH3 HSP90AB1 3006/4885GAA 1600/4885ALDH1A1 481/4885

“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.