SCHEMBL728908

SCHEMBL728908

CC1=C(C)CC(C(=O)Nc2ccc(Br)cc2)C(C(=O)O)C1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.65
KMT2A Q03164 1/20 0.65
ALDH1A1 P00352 3/20 0.59
KDM4E B2RXH2 3/20 0.59
HTT P42858 3/20 0.59
HPGD P15428 2/20 0.59
POLB P06746 1/20 0.58
FPR2 P25090 4/20 0.50
RXFP1 Q9HBX9 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TAAR1 Q96RJ0 1/20 0.48
FPR1 P21462 1/20 0.47
LMNA P02545 1/20 0.46
SHMT2 P34897 1/20 0.46

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
SCHEMBL10903940 0.88 TSHR (0.68) TSHRKMT2AALDH1A1KDM4EHTT
SCHEMBL10905952 0.86 ALDH1A1 (0.72) TSHRKMT2AALDH1A1KDM4EHTT
SCHEMBL730827 0.85 TSHR (0.65) TSHRKMT2AALDH1A1KDM4EHTT
SCHEMBL10904584 0.85 ALDH1A1 (0.71) TSHRKMT2AALDH1A1KDM4EHTT
SCHEMBL10904264 0.83 TDP1 (0.55) TSHRKMT2AALDH1A1KDM4EHTT
SCHEMBL730841 0.82 KMT2A (0.74) TSHRKMT2AALDH1A1KDM4EHTT
SCHEMBL3501643 0.81 CYP2C19 (0.69) TSHRKMT2AALDH1A1KDM4EHTT
SCHEMBL10904612 0.80 TSHR (0.67) TSHRKMT2AALDH1A1KDM4EHTT
SCHEMBL728840 0.79 KMT2A (1.00) TSHRKMT2AALDH1A1KDM4EHTT
SCHEMBL7823332 0.78 TDP1 (0.73) TSHRKMT2AALDH1A1HTTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011163502-A1 DERIVATIVES OF CYCLOALKYL- AND CYCLOALKENYL-1,2-DICARBOXYLIC ACID COMPOUNDS HAVING FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) AGONIST OR ANTAGONIST ACTIVITY ALLERGAN, INC. (US) 2011-12-29 WO disclosed
US-20110319454-A1 DERIVATIVES OF CYCLOALKYL- AND CYCLOALKENYL-1,2-DICARBOXYLIC ACID COMPOUNDS HAVING FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) AGONIST OR ANTAGONIST ACTIVITY ALLERGAN, INC. (US) 2011-12-29 US disclosed
US-20110319454-A1 DERIVATIVES OF CYCLOALKYL- AND CYCLOALKENYL-1,2-DICARBOXYLIC ACID COMPOUNDS HAVING FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) AGONIST OR ANTAGONIST ACTIVITY ALLERGAN, INC. (US) 2011-12-29 US disclosed
US-4596826-A Anticonvulsants EISAI CO., LTD. (JP) 1986-06-24 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-20110319454-A1 DERIVATIVES OF CYCLOALKYL- AND CYCLOALKENYL-1,2-DICARBOXYLIC ACID COMPOUNDS HAVING FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) AGONIST OR ANTAGONIST ACTIVITY FPR1, FPR2, FPR3 TSHR 886/4885KMT2A 4493/4885ALDH1A1 1981/4885

“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.