SCHEMBL964130

SCHEMBL964130

Cc1cc(C)nc(N2CC(C)CC(C)C2)n1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
HPGD P15428 3/20 0.45
HSD17B10 Q99714 2/20 0.45
USP2 O75604 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HCRTR1 O43613 14/20 0.44
HCRTR2 O43614 14/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TAAR1 Q96RJ0 1/20 0.42
LMNA P02545 1/20 0.41
MAPT P10636 1/20 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
SCHEMBL15108582 0.76 KDM4E (0.62) KDM4EHPGDHSD17B10USP2NPSR1
SCHEMBL27452629 0.74 HCRTR1 (0.50) KDM4EHPGDHSD17B10USP2NPSR1
SCHEMBL20976824 0.74 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL29117985 0.73 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL21963537 0.73 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL5383937 0.72 HTR2C (0.35) HPGDNPSR1KMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL29367258 0.72 HCRTR1 (0.50) HCRTR1HCRTR2
SCHEMBL27452742 0.72 KDM4E (0.45) KDM4EHPGDHSD17B10USP2NPSR1
Hydrochloric Acid SCHEMBL15796256 0.72 HCRTR1 (0.50) HCRTR1HCRTR2
SCHEMBL22018203 0.71 KDM4E (0.44) KDM4EHPGDHSD17B10USP2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2250998-B1 SKIN WHITENING AGENT AND EXTERNAL PREPARATION FOR THE SKIN SHISEIDO CO LTD (JP) 2016-04-13 EP disclosed
US-8563552-B2 Whitening agent and skin external preparation SHISEIDO COMPANY LTD. (JP) 2013-10-22 US disclosed
CN-101938988-B Skin whitening agent and external preparation for the skin SHISEIDO CO LTD 2013-06-19 CN disclosed
US-20110003817-A1 Whitening Agent And Skin External Preparation SHISEIDO COMPANY LTD. (JP) 2011-01-06 US disclosed
CN-101938988-A Skin whitening agent and external preparation for the skin SHISEIDO CO LTD 2011-01-05 CN disclosed
EP-2250998-A1 SKIN WHITENING AGENT AND EXTERNAL PREPARATION FOR THE SKIN Shiseido Company, Ltd. (JP) 2010-11-17 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-20110003817-A1 Whitening Agent And Skin External Preparation TYR, MC1R, RTN3 KDM4E 2446/4885HPGD 1727/4885HSD17B10 3068/4885

“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.