SCHEMBL6468973

SCHEMBL6468973

Cc1cc(Cl)ccc1C[C@@H](C)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
HTR2B P41595 1/20 0.50
MC4R P32245 5/20 0.46
P2RX7 Q99572 3/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
KMO O15229 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
ALOX15 P16050 1/20 0.42
CYP2C19 P33261 1/20 0.42
P2RX3 P56373 1/20 0.42
KDM4E B2RXH2 2/20 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
SCHEMBL6468980 1.00 TSHR (0.50) TSHRHTR2AHTR2CHTR2BMC4R
SCHEMBL6005671 0.85 CYP3A4 (0.52) MC4RHDAC3HDAC1HDAC2HDAC6
SCHEMBL9780834 0.85 CYP3A4 (0.52) MC4RHDAC3HDAC1HDAC2HDAC6
SCHEMBL2797496 0.82 CYP2C9 (0.48) TSHRHTR2AHTR2CHTR2BHDAC3
SCHEMBL12713283 0.82 CYP2C9 (0.48) TSHRHTR2AHTR2CHTR2BHDAC3
SCHEMBL12713285 0.82 CYP2C9 (0.48) TSHRHTR2AHTR2CHTR2BHDAC3
SCHEMBL2482374 0.82 PPARA (0.48) TSHRHTR2AHTR2CHTR2BPPARG
SCHEMBL2899349 0.82 CYP2C9 (0.48) TSHRHTR2AHTR2CHTR2BHDAC3
SCHEMBL26379080 0.81 ESR2 (0.49) KDM4EAPAF1POLBMAPTRECQL
SCHEMBL10745481 0.81 PPARG (0.49) TSHRHTR2AHTR2CHTR2BP2RX7

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-20050119252-A1 Ligands of melanocortin receptors and compositions and methods related thereto NEUROCRINE BIOSCIENCES, INC. (US) 2005-06-02 US disclosed
WO-2005042516-A2 LIGANDS OF MELANOCORTIN RECEPTORS AND COMPOSITIONS AND METHODS RELATED THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2005-05-12 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 (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-20050119252-A1 Ligands of melanocortin receptors and compositions and methods related thereto MC3R, MC1R, MC4R TSHR 55/4885HTR2A 142/4885HTR2C 155/4885

“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.