SCHEMBL4455067

SCHEMBL4455067

CCCCc1cc(C)ccc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.52
TDP1 Q9NUW8 2/20 0.46
ALOX15 P16050 2/20 0.46
TP53 P04637 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP3A4 P08684 1/20 0.46
THRB P10828 1/20 0.46
TAAR1 Q96RJ0 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
NOS2 P35228 1/20 0.42
TLR8 Q9NR97 4/20 0.41
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TYR P14679 1/20 0.40
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.38
CA1 P00915 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL414579 0.88 TDP1 (0.50) SKP2TDP1ALOX15TP53SMN1; SMN2
Ammonia Solution, Strong SCHEMBL3634662 0.86 TDP1 (0.48) SKP2TDP1ALOX15TP53SMN1; SMN2
SCHEMBL11745408 0.84 SKP2 (0.47) SKP2TDP1ALOX15TP53SMN1; SMN2
SCHEMBL19526504 0.82 ALOX15 (0.45) SKP2TDP1ALOX15TP53SMN1; SMN2
SCHEMBL30227228 0.82 SKP2 (0.48) SKP2TDP1ALOX15TP53CYP3A4
SCHEMBL39005 0.82 SKP2 (0.48) SKP2TDP1ALOX15TP53CYP3A4
SCHEMBL5377476 0.82 SKP2 (0.48) SKP2TDP1ALOX15TP53SMN1; SMN2
SCHEMBL28094009 0.81 TYR (0.48) SKP2TDP1ALOX15TP53SMN1; SMN2
SCHEMBL5382666 0.81 NR4A1 (0.47) SKP2SMN1; SMN2TLR8ALDH1A1NPC1
SCHEMBL8375841 0.80 SKP2 (0.67) SKP2SMN1; SMN2TLR8ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022129349-A1 DYEING COMPOSITION BASED ON 2-GAMMA-HYDROXYPROPYL-PARA-PHENYLENEDIAMINE AND A PHOSPHORIC SURFACTANT L'OREAL (FR) 2022-06-23 WO disclosed
US-9469654-B2 Bicyclic oxa-lactam kinase inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2016-10-18 US disclosed
US-20150340519-A1 HIGHLY-FLUORESCENT AND PHOTO-STABLE CHROMOPHORES FOR WAVELENGTH CONVERSION NITTO DENKO CORPORATION (JP) 2015-11-26 US disclosed
US-20150252056-A1 BICYCLIC OXA-LACTAM KINASE INHIBITORS ALEXION PHARMACEUTICALS, INC. 2015-09-10 US disclosed
US-9040530-B2 1,2,4-triazine-6-carboxamide kinase inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2015-05-26 US disclosed
US-20140113931-A1 SUBSTITUTED PICOLINAMIDE KINASE INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2014-04-24 US disclosed
US-8231792-B2 Purification of ionic liquids BASF AKTIENGESELLSCHAFT (DE) 2012-07-31 US disclosed
US-20090250409-A1 PURIFICATION OF IONIC LIQUIDS BASF AKTIENGESELLSCHSFT (DE) 2009-10-08 US disclosed
EP-1824575-A1 PURIFICATION OF IONIC LIQUIDS BASF AKTIENGESELLSCHAFT (DE) 2007-08-29 EP disclosed
WO-2006061188-A1 PURIFICATION OF IONIC LIQUIDS BASF AKTIENGESELLSCHAFT (DE) 2006-06-15 WO disclosed
US-4079012-A Synthetic ester oil compositions containing organic sulfonic acid ammonium salts as load-carrying agents BOSNIACK DAVID S 1978-03-14 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 (2 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-20150252056-A1 BICYCLIC OXA-LACTAM KINASE INHIBITORS SYK, BTK, JAK2 SKP2 172/4885TDP1 2178/4885ALOX15 1564/4885
US-20140113931-A1 SUBSTITUTED PICOLINAMIDE KINASE INHIBITORS SYK, LCK, BTK SKP2 183/4885TDP1 986/4885ALOX15 3470/4885

“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.