SCHEMBL4963208

SCHEMBL4963208

COc1ccccc1NC(=O)C1CC(C)CCC1C(C)C

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 4/20 0.64
SMN1; SMN2 Q16637 1/20 0.53
TSHR P16473 2/20 0.52
ALOX15 P16050 1/20 0.52
P2RX4 Q99571 1/20 0.47
DDB1 Q16531 1/20 0.46
CRBN Q96SW2 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ACHE P22303 1/20 0.46
BACE1 P56817 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
KDM4E B2RXH2 1/20 0.45
EPHX1 P07099 1/20 0.45
NPC1 O15118 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
SCHEMBL10072942 1.00 TRPM8 (0.64) TRPM8SMN1; SMN2TSHRALOX15P2RX4
SCHEMBL2628744 0.90 TRPM8 (0.60) TRPM8SMN1; SMN2TSHRALOX15P2RX4
SCHEMBL15533401 0.87 TRPM8 (0.55) TRPM8P2RX4EPHX1
SCHEMBL2628781 0.86 TRPM8 (0.74) TRPM8SMN1; SMN2TAS1R3TAS1R1
SCHEMBL4886225 0.85 TRPM8 (0.60) TRPM8SMN1; SMN2TSHRP2RX4TDP1
SCHEMBL2628773 0.84 TRPM8 (0.58) TRPM8P2RX4EPHX1
SCHEMBL2628761 0.84 TRPM8 (0.58) TRPM8P2RX4L3MBTL1EPHX1NPC1
SCHEMBL4812089 0.84 P2RX4 (0.61) TRPM8P2RX4EPHX1
SCHEMBL2628771 0.83 TRPM8 (0.57) TRPM8TSHRP2RX4TAS1R3TAS1R1
SCHEMBL4883688 0.82 TRPM8 (0.56) TRPM8TSHRP2RX4TDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233046-B1 USE OF A COMBINATION OF AN ASSOCIATIVE NONIONIC POLYETHER POLYURETHANE AND A CYCLOHEXANOL DERIVATIVE AS A SKIN REFRESHING AGENT OREAL (FR) 2020-07-29 EP disclosed
US-10548833-B2 Use of a combination of an associative nonionic polyether polyurethane and a cyclohexanol derivative as a skin refreshing agent L'OREAL (FR) 2020-02-04 US disclosed
US-20170367965-A1 USE OF A COMBINATION OF AN ASSOCIATIVE NONIONIC POLYETHER POLYURETHANE AND A CYCLOHEXANOL DERIVATIVE AS A SKIN REFRESHING AGENT L'OREAL (FR) 2017-12-28 US disclosed
EP-3233046-A1 USE OF A COMBINATION OF AN ASSOCIATIVE NONIONIC POLYETHER POLYURETHANE AND A CYCLOHEXANOL DERIVATIVE AS A SKIN REFRESHING AGENT L'Oréal (FR) 2017-10-25 EP disclosed
WO-2016096928-A1 USE OF A COMBINATION OF AN ASSOCIATIVE NONIONIC POLYETHER POLYURETHANE AND A CYCLOHEXANOL DERIVATIVE AS A SKIN REFRESHING AGENT L'OREAL (FR) 2016-06-23 WO disclosed
EP-1871738-A2 N-ALKYLCARBONYL-AMINO ACID ESTER AND N-ALKYLCARBONYL-AMINO LACTONE COMPOUNDS AND THEIR USE Wei, Edward T. (US) 2008-01-02 EP disclosed
WO-2006103401-A2 N-ALKYLCARBONYL-AMINO ACID ESTER AND N-ALKYLCARBONYL-AMINO LACTONE COMPOUNDS AND THEIR USE PAGET, HUGH, CHARLES, EDWARD (GB) 2006-10-05 WO disclosed
US-20050187211-A1 N-arylsalkyl-carboxamide compositions and methods WEI EDWARD T (US) 2005-08-25 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 (3 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-10548833-B2 Use of a combination of an associative nonionic polyether polyurethane and a cyclohexanol derivative as a skin refreshing agent CUTA, DEGS1, OR51E2 TRPM8 16/4885SMN1; SMN2 4493/4885TSHR 3335/4885
US-20050187211-A1 N-arylsalkyl-carboxamide compositions and methods OPRL1, TRPV1, TRPA1 TRPM8 13/4885SMN1; SMN2 334/4885TSHR 3809/4885
US-20170367965-A1 USE OF A COMBINATION OF AN ASSOCIATIVE NONIONIC POLYETHER POLYURETHANE AND A CYCLOHEXANOL DERIVATIVE AS A SKIN REFRESHING AGENT CUTA, DEGS1, OR51E2 TRPM8 16/4885SMN1; SMN2 4493/4885TSHR 3335/4885

“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.