SCHEMBL2198065

SCHEMBL2198065

C[C@@H]1CCCCCCCCCCCCCCCCC(O)C(=O)C1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.45
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA4 P22748 2/20 0.41
MMP3 P08254 1/20 0.40
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
EPHX1 P07099 1/20 0.31
TLR4 O00206 1/20 0.31
NR1I2 O75469 1/20 0.30
KDM4B O94953 1/20 0.30
CHRM1 P11229 1/20 0.30
TBXA2R P21731 1/20 0.30
ADRA1A P35348 1/20 0.30
DOHH Q9BU89 1/20 0.30
CRBN Q96SW2 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
SCHEMBL7191054 1.00 KMT2A (0.45) KMT2ACA1CA2CA4MMP3
SCHEMBL7933994 1.00 KMT2A (0.45) KMT2ACA1CA2CA4MMP3
SCHEMBL2197675 0.89 KMT2A (0.37) KMT2ACA1CA2CA4MMP3
SCHEMBL2197677 0.89 KMT2A (0.37) KMT2ACA1CA2CA4MMP3
SCHEMBL2197669 0.89 KMT2A (0.37) KMT2ACA1CA2CA4MMP3
SCHEMBL11372983 0.88 KMT2A (0.53) KMT2ACA1CA2CA4MMP3
SCHEMBL2195800 0.88 KMT2A (0.42) KMT2ACA1CA2CA4MMP3
SCHEMBL13284055 0.84
SCHEMBL2199031 0.79 KMT2A (0.35) KMT2ACA1CA2CA4
SCHEMBL2199037 0.79 KMT2A (0.35) KMT2ACA1CA2CA4

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 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.