SCHEMBL6496841

SCHEMBL6496841

O=C(N[C@@H](Cc1ccc(F)cc1)[C@H](O)CCl)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.52
CTSB P07858 2/20 0.51
CTRB1 P17538 2/20 0.50
OPRK1 P41145 1/20 0.49
SPPL2A Q8TCT8 1/20 0.48
F2 P00734 1/20 0.46
PLAU P00749 1/20 0.46
PLAT P00750 1/20 0.46
TACR1 P25103 2/20 0.46
CTSL P07711 2/20 0.45
MGLL Q99685 1/20 0.45
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45
GPR34 Q9UPC5 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ALOX15 P16050 1/20 0.44

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
SCHEMBL6486738 1.00 TRPM8 (0.52) TRPM8CTSBCTRB1OPRK1SPPL2A
SCHEMBL6500127 0.93 TRPM8 (0.58) TRPM8CTSBCTRB1SPPL2AF2
SCHEMBL6654213 0.93 TRPM8 (0.58) TRPM8CTSBCTRB1SPPL2AF2
SCHEMBL3023446 0.93 TRPM8 (0.58) TRPM8CTSBCTRB1SPPL2AF2
SCHEMBL2577615 0.93 TRPM8 (0.58) TRPM8CTSBCTRB1SPPL2AF2
SCHEMBL3023447 0.93 TRPM8 (0.58) TRPM8CTSBCTRB1SPPL2AF2
SCHEMBL7221074 0.88 TRPM8 (0.56) TRPM8CTSBCTRB1OPRK1F2
SCHEMBL7267940 0.86 ATM (0.58) TRPM8CTSBCTRB1SPPL2AF2
SCHEMBL7275756 0.83 CTSL (0.55) TRPM8CTSBCTRB1SPPL2AF2
SCHEMBL5650179 0.81 KLK5 (0.48) TRPM8CTSBCTRB1SPPL2ACTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6888012-B2 Reducing an alpha -haloketone compound by asymmetric hydrogen transfer in presence of a group 9 transition metal compound having a substituted or unsubstituted cyclopentadienyl group and an optically active diamine compound AJINOMOTO CO., INC. (JP) 2005-05-03 US disclosed
US-20040082820-A1 Hydrogen transfer reduction; useful as intermediate for production of pharmaceuticals/agricultural chemicals AJINOMOTO CO., INC. (JP) 2004-04-29 US disclosed
EP-1346972-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE HALOHYDRIN COMPOUND Ajinomoto Co., Inc. (JP) 2003-09-24 EP 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-20040082820-A1 Hydrogen transfer reduction; useful as intermediate for production of pharmaceuticals/agricultural chemicals DHPS, HDHD5, HYPK TRPM8 2152/4885CTSB 2595/4885CTRB1 2474/4885

“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.