SCHEMBL17009142

SCHEMBL17009142

COC(=O)C(C)(C)C(=O)CCCc1ccc(OC)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.56
F2RL1 P55085 1/20 0.54
ALDH1A1 P00352 2/20 0.52
POLB P06746 1/20 0.51
PLAAT3 P53816 1/20 0.50
PLAAT5 Q96KN8 1/20 0.50
PLAAT2 Q9NWW9 1/20 0.50
PLAAT4 Q9UL19 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
HPGD P15428 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL17009151 0.85 PLAAT3 (0.44) ALOX5POLBPLAAT3PLAAT5PLAAT2
SCHEMBL17009104 0.82 PPARA (0.53) ALOX5CYP1A2CYP3A4KMT2A
SCHEMBL10697795 0.81 HTT (0.57) F2RL1ALDH1A1POLBCYP3A4CYP2C19
SCHEMBL5271327 0.80 FAAH (0.60) ALOX5F2RL1ALDH1A1POLBRAB9A
SCHEMBL1274985 0.78 ALOX5 (0.66) ALOX5F2RL1ALDH1A1POLBPLAAT3
SCHEMBL19520266 0.77 F2RL1 (0.58) ALOX5F2RL1ALDH1A1POLBCYP1A2
SCHEMBL10508508 0.76 ALOX5 (0.49) ALOX5F2RL1ALDH1A1POLBPLAAT3
SCHEMBL1105476 0.76 ALOX5 (0.68) ALOX5F2RL1ALDH1A1POLBPLAAT3
SCHEMBL503646 0.76 ALOX5 (0.68) ALOX5F2RL1ALDH1A1PLAAT3PLAAT5
SCHEMBL659052 0.76 ALOX5 (0.68) ALOX5F2RL1ALDH1A1POLBPLAAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106029640-B Pyrazolinone compounds and application thereof 泰普斯特医疗公司 2018-08-24 CN disclosed
US-20180079745-A1 PYRAZOLONE COMPOUNDS AND USES THEREOF INCEPTION SCIENCES, INC. 2018-03-22 US disclosed
US-9862708-B2 Pyrazolone compounds and uses thereof TEMPEST THERAPEUTICS, INC. (US) 2018-01-09 US disclosed
US-20170174666-A1 PYRAZOLONE COMPOUNDS AND USES THEREOF TEMPEST THERAPEUTICS, INC. 2017-06-22 US disclosed
EP-3105205-A1 PYRAZOLONE COMPOUNDS AND USES THEREOF Inception 2, Inc. (US) 2016-12-21 EP disclosed
WO-2015123133-A1 PYRAZOLONE COMPOUNDS AND USES THEREOF INCEPTION 2, INC. (US) 2015-08-20 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 (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-20170174666-A1 PYRAZOLONE COMPOUNDS AND USES THEREOF PPARA, PPARG, PPARD ALOX5 107/4885F2RL1 1036/4885ALDH1A1 490/4885
US-20180079745-A1 PYRAZOLONE COMPOUNDS AND USES THEREOF PPARA, PPARG, PPARD ALOX5 153/4885F2RL1 779/4885ALDH1A1 542/4885

“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.