SCHEMBL2490317

SCHEMBL2490317

Cc1ccc(C(NCCCO)(c2ccc(C)cc2)c2ccc(C)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
MAPT P10636 2/20 0.37
TSHR P16473 1/20 0.37
MMP13 P45452 1/20 0.36
KCNN4 O15554 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
HPGD P15428 1/20 0.34
MLYCD O95822 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CHRM2 P08172 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
SCHEMBL2488822 0.90 MMP13 (0.42) KIF11NPC1RAB9AMAPTTSHR
SCHEMBL20710206 0.83 KIF11 (0.53) KIF11NPC1RAB9AMAPTMMP13
SCHEMBL4156500 0.83 NPC1 (0.43) KIF11NPC1RAB9AMAPTMMP13
SCHEMBL2490249 0.80 NPC1 (0.42) KIF11NPC1RAB9AMAPTL3MBTL1
SCHEMBL2493446 0.80 KIF11 (0.59) KIF11MAPTKCNN4HPGDLMNA
SCHEMBL10071078 0.75 KIF11 (0.49) KIF11KCNN4L3MBTL1LMNAPOLB
SCHEMBL9439820 0.75 KIF11 (0.47) KIF11KCNN4LMNAPOLBSMN1; SMN2
SCHEMBL3684180 0.74 KIF11 (0.57) KIF11MAPTTSHRKCNN4HPGD
SCHEMBL8350785 0.74 TSHR (0.43) NPC1RAB9AMAPTTSHRMMP13
SCHEMBL14286703 0.73 KIF11 (0.55) KIF11MAPTTSHRKCNN4HPGD

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 4556/4885NPC1 3118/4885RAB9A 923/4885
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR TYR, MC1R, F12 KIF11 4605/4885NPC1 2913/4885RAB9A 1013/4885
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, MC1R KIF11 4611/4885NPC1 2906/4885RAB9A 1118/4885

“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.