SCHEMBL2197408

SCHEMBL2197408

OC1CCCCCCCCCCCCCCCCCCCCCCCC1

nearest known ligand 0.91

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.91
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
ALDH1A1 P00352 4/20 0.36
HSD17B10 Q99714 1/20 0.35
EPHX1 P07099 5/20 0.33
CYP3A4 P08684 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 1/20 0.33
EPHX2 P34913 1/20 0.33
ESR2 Q92731 1/20 0.33
MGLL Q99685 1/20 0.33
GPR119 Q8TDV5 1/20 0.32

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
SCHEMBL11948880 1.00 TSHR (0.91) TSHRCES2CES1CA1CA2
SCHEMBL2193805 1.00 TSHR (0.91) TSHRCES2CES1CA1CA2
SCHEMBL811883 1.00 TSHR (0.91) TSHRCES2CES1CA1CA2
Cyclooctanol SCHEMBL8732936 1.00 TSHR (0.91) TSHRCES2CES1CA1CA2
SCHEMBL11948482 1.00 TSHR (0.91) TSHRCES2CES1CA1CA2
SCHEMBL23121456 1.00 TSHR (0.91) TSHRCES2CES1CA1CA2
Cyclooctanol SCHEMBL40903 1.00
Cyclohexanol SCHEMBL8503956 1.00 TSHR (0.91) TSHRCES2CES1CA1CA2
SCHEMBL653885 1.00 TSHR (0.91) TSHRCES2CES1CA1CA2
Cyclohexanol SCHEMBL5545 1.00

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1264594-B1 Melanin production inhibitors and skincare products containing such inhibitors TAKASAGO PERFUMERY CO LTD (JP) 2006-11-29 EP claimed
US-6759557-B2 MACROCYCLIC HYDROCARBON RINGS WITH HYDROXYL AND/OR KETONE FUNCTIONALITIES, SUCH AS CYCLOTETRADECANONE OR 2-HYDROXYCYCLOHEXADECANONE, OPTIONALLY WITH SKIN WHITENING AGENTS AND/OR UV ABSORBERS TAKASAGO INTERNATIONAL CORPORATION (JP) 2004-07-06 US claimed
US-20030049213-A1 Melanin production inhibitors and skincare products containing such inhibitors TAKASAGO INTERNATIONAL CORPORATION (JP) 2003-03-13 US claimed
EP-1264594-A2 Melanin production inhibitors and skincare products containing such inhibitors Takasago International Corporation (JP) 2002-12-11 EP claimed
US-20160000691-A1 Topical Compositions And Methods For Whitening Skin ELC MAN LLC (US) 2016-01-07 US disclosed
US-20110171288-A1 TOPICAL COMPOSITIONS AND METHODS FOR WHITENING SKIN MOHAMMADI FATEMEH 2011-07-14 US disclosed
EP-2254546-A2 TOPICAL COMPOSITIONS AND METHODS FOR WHITENING SKIN ELC Management LLC (US) 2010-12-01 EP disclosed
WO-2009105294-A2 TOPICAL COMPOSITIONS AND METHODS FOR WHITENING SKIN ELC MANAGEMENT LLC (US) 2009-08-27 WO disclosed
EP-1264594-B1 Melanin production inhibitors and skincare products containing such inhibitors TAKASAGO PERFUMERY CO LTD (JP) 2006-11-29 EP disclosed
US-6759557-B2 MACROCYCLIC HYDROCARBON RINGS WITH HYDROXYL AND/OR KETONE FUNCTIONALITIES, SUCH AS CYCLOTETRADECANONE OR 2-HYDROXYCYCLOHEXADECANONE, OPTIONALLY WITH SKIN WHITENING AGENTS AND/OR UV ABSORBERS TAKASAGO INTERNATIONAL CORPORATION (JP) 2004-07-06 US disclosed
US-20030049213-A1 Melanin production inhibitors and skincare products containing such inhibitors TAKASAGO INTERNATIONAL CORPORATION (JP) 2003-03-13 US disclosed
EP-1264594-A2 Melanin production inhibitors and skincare products containing such inhibitors Takasago International Corporation (JP) 2002-12-11 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 (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-20160000691-A1 Topical Compositions And Methods For Whitening Skin CUTA, COL14A1, KRT18 TSHR 4837/4885CES2 602/4885CES1 699/4885
US-20030049213-A1 Melanin production inhibitors and skincare products containing such inhibitors TYR, AOC3, DOHH TSHR 3284/4885CES2 1453/4885CES1 276/4885
US-20110171288-A1 TOPICAL COMPOSITIONS AND METHODS FOR WHITENING SKIN CUTA, COL14A1, KRT18 TSHR 4837/4885CES2 602/4885CES1 699/4885

“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.