SCHEMBL4551228

SCHEMBL4551228

O=C(O)C1(c2ccccc2)CCc2ccccc2O1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.46
EPHX2 P34913 2/20 0.42
EPHX1 P07099 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
HDAC9 Q9UKV0 2/20 0.40
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40
AKR1C1 Q04828 1/20 0.40
HCAR2 Q8TDS4 1/20 0.38
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
LDHA P00338 1/20 0.36
RXRA P19793 1/20 0.34
SCD O00767 1/20 0.34

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
SCHEMBL2904993 0.82 TRPM8 (0.40) TRPM8EPHX2EPHX1SIGMAR1HDAC9
SCHEMBL2904991 0.82 TRPM8 (0.40) TRPM8EPHX2EPHX1SIGMAR1HDAC9
SCHEMBL29194054 0.81 OPRL1 (0.40) TRPM8SIGMAR1HDAC9HCAR2
SCHEMBL1667521 0.79 KIF11 (0.39) TRPM8EPHX2EPHX1SIGMAR1DRD2
SCHEMBL1667518 0.79 KIF11 (0.39) TRPM8EPHX2EPHX1SIGMAR1DRD2
SCHEMBL8410197 0.78 TRPM8 (0.49) TRPM8EPHX2EPHX1SIGMAR1HDAC9
SCHEMBL15882569 0.77 TRPM8 (0.48) TRPM8EPHX2EPHX1SIGMAR1HDAC9
SCHEMBL2283973 0.77 TRPM8 (0.48) TRPM8EPHX2EPHX1SIGMAR1HDAC9
SCHEMBL3519974 0.75 TRPM8 (0.47) TRPM8SIGMAR1PPARGPPARA
SCHEMBL29455981 0.75 TRPM8 (0.47) TRPM8SIGMAR1PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7098245-B2 Polynucleotide cleavage agent switched on by photo irradiation TOTTORI UNIVERSITY (JP) 2006-08-29 US claimed
US-20040058346-A1 Polynucleotide cleavage agent switched on by photo irradiation TOTTORI UNIVERSITY (JP) 2004-03-25 US claimed
CN-114728970-A Optical proximity analysis of protein-protein interactions in cells 芝加哥大学 2022-07-08 CN disclosed
US-7514404-B2 PNA-neamine conjugates and methods for producing and using the same UNIVERSITY OF MEDICINE & DENTISTRY OF NEW JERSEY (US) 2009-04-07 US disclosed
US-20070225239-A1 Pna-Neamine Conjugates and Methods for Producing and Using the Same NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2007-09-27 US disclosed
US-7098245-B2 Polynucleotide cleavage agent switched on by photo irradiation TOTTORI UNIVERSITY (JP) 2006-08-29 US disclosed
WO-2005060573-A2 PNA-NEAMINE CONJUGATES AND METHODS FOR PRODUCING AND USING THE SAME UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2005-07-07 WO disclosed
US-20040058346-A1 Polynucleotide cleavage agent switched on by photo irradiation TOTTORI UNIVERSITY (JP) 2004-03-25 US disclosed
CN-1230955-A Dihydrobenzopyrans and related compounds as anti-inflammatory agents PROCTER & GAMBLE (US) 1999-10-06 CN 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-20040058346-A1 Polynucleotide cleavage agent switched on by photo irradiation NSUN2, CPSF1, POLL TRPM8 2600/4885EPHX2 1594/4885EPHX1 3500/4885
US-20070225239-A1 Pna-Neamine Conjugates and Methods for Producing and Using the Same NCL, PNMT, RNMT TRPM8 4769/4885EPHX2 1513/4885EPHX1 2145/4885

“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.