SCHEMBL2197346

SCHEMBL2197346

C[C@H]1CCCCCCCCCCCC[C@@H](O)C1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
LMNA P02545 1/20 0.35
CYP2C9 P11712 1/20 0.35
TRPA1 O75762 2/20 0.34
TRPM8 Q7Z2W7 2/20 0.34
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
EPHX1 P07099 1/20 0.32
KMT2A Q03164 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
SCHEMBL17393310 1.00 TSHR (0.47) TSHRCA1CA2CA4LMNA
SCHEMBL17393428 1.00 TSHR (0.47) TSHRCA1CA2CA4LMNA
SCHEMBL4841935 1.00 TSHR (0.47) TSHRCA1CA2CA4LMNA
SCHEMBL6055449 1.00 TSHR (0.47) TSHRCA1CA2CA4LMNA
SCHEMBL2196681 1.00 TSHR (0.47) TSHRCA1CA2CA4LMNA
SCHEMBL2195341 1.00 TSHR (0.47) TSHRCA1CA2CA4LMNA
SCHEMBL6055429 1.00 TSHR (0.47) TSHRCA1CA2CA4LMNA
SCHEMBL2197377 1.00 TSHR (0.47) TSHRCA1CA2CA4LMNA
SCHEMBL12641520 0.97
SCHEMBL4844977 0.97

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-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-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-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 4837/4885CA1 3406/4885CA2 1629/4885
US-20030049213-A1 Melanin production inhibitors and skincare products containing such inhibitors TYR, AOC3, DOHH TSHR 3284/4885CA1 4605/4885CA2 3711/4885
US-20110171288-A1 TOPICAL COMPOSITIONS AND METHODS FOR WHITENING SKIN CUTA, COL14A1, KRT18 TSHR 4837/4885CA1 3406/4885CA2 1629/4885

“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.