SCHEMBL928616

SCHEMBL928616

CC(C)(C)CC(C)(C)c1ccc(-n2nc3ccccc3n2)c(O)c1Cc1c(C(C)(C)CC(C)(C)C)ccc(-n2nc3ccccc3n2)c1O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 2/20 0.34
KDM4E B2RXH2 3/20 0.32
SHBG P04278 1/20 0.31
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HPGD P15428 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
SCHEMBL8049216 0.84 KDM4E (0.33) KDM4ESHBG
SCHEMBL2944734 0.82 NPC1 (0.40) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL30389113 0.82 NPC1 (0.40) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL28894056 0.77 NPC1 (0.38) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL29371482 0.76 NPC1 (0.44) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL673358 0.76 NPC1 (0.44) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL14790330 0.75 NPC1 (0.43) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL4387585 0.75 NPC1 (0.37) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL6330928 0.75 NPC1 (0.43) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL19305660 0.74 NPC1 (0.42) NPC1RAB9ALMNAPOLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8529921-B2 Polyamide-5 compounds in cosmetic preparations BEIERSDORF AG (DE) 2013-09-10 US disclosed
US-20110268674-A1 POLYAMIDE-5 COMPOUNDS IN COSMETIC PREPARATIONS BEIERSDORF AG (DE) 2011-11-03 US disclosed
US-20110014139-A1 SUN PROTECTION COMPOSITIONS BAYER MATERIAL SCIENCE AG (DE) 2011-01-20 US disclosed
US-20090203817-A1 STABILIZED SPANDEX COMPOSITIONS CYTEC TECHNOLOGY CORP. 2009-08-13 US disclosed
JP-2009169306-A PROTECTION FILM FOR POLARIZING PLATE, AND POLARIZING PLATE NIPPON ZEON CO LTD 2009-07-30 JP disclosed
US-5635553-A MIXTURE OF POLYAMIDES, ETHYLENE-VINYL ALCOHOL COPOLYMERS, POLYALKYLENE GLYCOL; PACKAGING FILMS; REDUCED FISH EYE GEL FORMATION SUMITOMO CHEMICAL CO., LTD. (JP) 1997-06-03 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-20110014139-A1 SUN PROTECTION COMPOSITIONS ERCC4, ERCC1, ERCC5 NPC1 2965/4885RAB9A 3194/4885LMNA 313/4885
US-20110268674-A1 POLYAMIDE-5 COMPOUNDS IN COSMETIC PREPARATIONS CUTA, PLIN5, PGA5 NPC1 3523/4885RAB9A 2961/4885LMNA 99/4885
US-20090203817-A1 STABILIZED SPANDEX COMPOSITIONS SMCHD1, SMC1A, SI NPC1 807/4885RAB9A 2836/4885LMNA 348/4885

“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.