SCHEMBL16019241

SCHEMBL16019241

CCCc1cc(C(=O)O)cc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 7/20 0.49
CES2 O00748 1/20 0.44
RXRA P19793 2/20 0.44
RXRB P28702 2/20 0.44
RXRG P48443 2/20 0.44
TACR1 P25103 3/20 0.41
SRD5A2 P31213 3/20 0.41
NOTUM Q6P988 1/20 0.41
NR4A2 P43354 2/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL17897037 0.86 MRGPRX4 (0.51) MRGPRX4CES2RXRARXRBRXRG
SCHEMBL24214278 0.85 MRGPRX4 (0.50) MRGPRX4CES2RXRARXRBRXRG
SCHEMBL16952850 0.83 CES2 (0.38) CES2RXRARXRBRXRGTACR1
SCHEMBL1355567 0.82 ALDH1A1 (0.45) RXRARXRBALDH1A1
SCHEMBL7769260 0.82 RXRA (0.46) RXRARXRBALDH1A1
SCHEMBL27761970 0.81 RXRA (0.53) MRGPRX4CES2RXRARXRBRXRG
SCHEMBL17896574 0.80 MRGPRX4 (0.49) MRGPRX4CES2RXRARXRBRXRG
SCHEMBL2600179 0.80 IDO1 (0.48) TACR1POLB
SCHEMBL12412585 0.80 IDO1 (0.43)
SCHEMBL16727011 0.80 MRGPRX4 (0.55) MRGPRX4TACR1NOTUMNR4A2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150112071-A1 PREPARATION OF AMINOTETRALIN COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-04-23 US disclosed
US-20140256947-A1 PREPARATION OF AMINOTETRALIN COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-11 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-20140256947-A1 PREPARATION OF AMINOTETRALIN COMPOUNDS MAP4K5, MAP4K2, MAP4K1 MRGPRX4 3622/4885CES2 2724/4885RXRA 4868/4885
US-20150112071-A1 PREPARATION OF AMINOTETRALIN COMPOUNDS MAP4K5, MAP4K2, MAP4K1 MRGPRX4 3622/4885CES2 2724/4885RXRA 4868/4885

“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.