SCHEMBL2490812

SCHEMBL2490812

Cc1ccc(C(OCCO)(c2ccc(C)cc2)c2ccc(C)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.39
TSHR P16473 1/20 0.39
SLC6A11 P48066 1/20 0.38
CYP3A4 P08684 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
MMP13 P45452 1/20 0.34
TK2 O00142 3/20 0.34
CYP19A1 P11511 1/20 0.33
ACHE P22303 1/20 0.33
TK1 P04183 1/20 0.33
EDNRA P25101 1/20 0.33
TNKS O95271 1/20 0.33
PARP1 P09874 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33

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
SCHEMBL12199493 0.93 KIF11 (0.52) KIF11TK2TK1
SCHEMBL2491345 0.88 TK2 (0.38) KIF11TSHRSLC6A11NPC1MAPT
SCHEMBL12199494 0.84 KIF11 (0.51) KIF11SLC6A11CYP3A4ACHE
SCHEMBL2494532 0.81 KIF11 (0.41) KIF11TSHRCYP3A4NPC1MAPT
SCHEMBL2491594 0.80 SLC6A11 (0.45) SLC6A11CYP3A4SMN1; SMN2TDP1
SCHEMBL2493499 0.79 SLC6A1 (0.43) KIF11SLC6A11CYP3A4SMN1; SMN2NPC1
SCHEMBL2490391 0.79 KIF11 (0.64) KIF11TSHRSLC6A11SMN1; SMN2TDP1
SCHEMBL2491921 0.78 KIF11 (0.63) KIF11TSHRTDP1TK2TK1
SCHEMBL18803716 0.76 KIF11 (0.55) KIF11SMN1; SMN2TK2TK1
SCHEMBL2489296 0.76 KIF11 (0.50) KIF11TSHRSLC6A11TK2TK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3009123-A1 MELANIN PRODUCTION INHIBITOR Pola Chemical Industries Inc. (JP) 2016-04-20 EP disclosed
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR POLA CHEMICAL INDUSTRIES INC. (JP) 2015-11-19 US disclosed
EP-2845587-A2 Melanin production inhibitor Pola Chemical Industries Inc. (JP) 2015-03-11 EP disclosed
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR POLA CHEMICAL INDUSTRIES INC. (JP) 2014-12-11 US disclosed
US-8846012-B2 Melanin production inhibitor POLA CHEMICAL INDUSTRIES INC. (JP) 2014-09-30 US disclosed
EP-2380567-A1 MELANIN PRODUCTION INHIBITOR Pola Chemical Industries Inc. (JP) 2011-10-26 EP disclosed
US-20110243865-A1 MELANIN PRODUCTION INHIBITOR POLA CHEMICAL INDUSTRIES INC. (JP) 2011-10-06 US 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-20110243865-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, TH KIF11 4556/4885TSHR 100/4885SLC6A11 862/4885
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR TYR, MC1R, F12 KIF11 4605/4885TSHR 75/4885SLC6A11 863/4885
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, MC1R KIF11 4611/4885TSHR 68/4885SLC6A11 1010/4885

“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.