SCHEMBL2195774

SCHEMBL2195774

C[C@H]1CCCCCCC=CCCCCCCCCC(=O)C(O)C1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA4 P22748 1/20 0.44
MCL1 Q07820 1/20 0.32
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
TLR4 O00206 1/20 0.30
CA12 O43570 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL2195770 1.00 KMT2A (0.47) KMT2ACA1CA2CA4MCL1
SCHEMBL2195766 1.00 KMT2A (0.47) KMT2ACA1CA2CA4MCL1
SCHEMBL2193721 0.90 KMT2A (0.57) KMT2ACA1CA2CA4MCL1
SCHEMBL7941520 0.90 KMT2A (0.57) KMT2ACA1CA2CA4MCL1
SCHEMBL2199031 0.87 KMT2A (0.35) KMT2ACA1CA2CA4
SCHEMBL2199032 0.87 KMT2A (0.35) KMT2ACA1CA2CA4
SCHEMBL2199037 0.87 KMT2A (0.35) KMT2ACA1CA2CA4
SCHEMBL6055714 0.83 KMT2A (0.42) KMT2ACA1CA2CA4MCL1
SCHEMBL2194769 0.83 KMT2A (0.42) KMT2ACA1CA2CA4MCL1
SCHEMBL2193109 0.83 KMT2A (0.42) KMT2ACA1CA2CA4MCL1

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 10 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-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 KMT2A 3643/4885CA1 3406/4885CA2 1629/4885
US-20030049213-A1 Melanin production inhibitors and skincare products containing such inhibitors TYR, AOC3, DOHH KMT2A 1713/4885CA1 4605/4885CA2 3711/4885
US-20110171288-A1 TOPICAL COMPOSITIONS AND METHODS FOR WHITENING SKIN CUTA, COL14A1, KRT18 KMT2A 3643/4885CA1 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.