SCHEMBL15912487

SCHEMBL15912487

CC(=O)C(C)(C)Oc1ccc(Br)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.48
▸ PPARA Q07869 10/20 0.47
▸ MAPT P10636 3/20 0.47
▸ CYP2D6 P10635 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ PPARD Q03181 2/20 0.46
▸ TSHR P16473 2/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ PPARG P37231 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ LDHA P00338 1/20 0.41
▸ FABP2 P12104 1/20 0.41
▸ SLC22A12 Q96S37 1/20 0.41

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
SCHEMBL22884963 0.89 PPARA (0.55) KMT2AMEN1NPSR1PPARAMAPT
SCHEMBL1811163 0.84 PPARA (0.67) KMT2AMEN1NPSR1PPARAMAPT
SCHEMBL3233909 0.82 KMT2A (0.47) KMT2AMEN1NPSR1PPARAMAPT
SCHEMBL3573347 0.82 PPARA (0.50) KMT2AMEN1NPSR1PPARAMAPT
SCHEMBL15460016 0.82 MAPT (0.48) KMT2AMEN1NPSR1PPARAMAPT
SCHEMBL16580097 0.82 LMNA (0.52) KMT2AMEN1PPARAMAPTCYP2D6
SCHEMBL1811683 0.81 KMT2A (0.54) KMT2AMEN1NPSR1PPARAMAPT
SCHEMBL9372364 0.80 PPARA (0.72) KMT2AMEN1NPSR1PPARAMAPT
SCHEMBL5727051 0.79 PPARA (0.45) KMT2AMEN1NPSR1PPARAMAPT
SCHEMBL3237160 0.79 MAPT (0.50) KMT2AMEN1NPSR1PPARAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-31 — — 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 (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-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 KMT2A 2450/4885MEN1 1384/4885NPSR1 259/4885

“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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