SCHEMBL2078764

SCHEMBL2078764

CC(C)(C)C(=O)NCCc1ccc(N(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.61
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
ALDH1A1 P00352 4/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
ALOX12 P18054 1/20 0.56
CYP2C19 P33261 1/20 0.56
MMP8 P22894 2/20 0.51
ESRRG P62508 4/20 0.50
MAPT P10636 1/20 0.50
OPRK1 P41145 1/20 0.49
CA12 O43570 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
EPHX1 P07099 1/20 0.43
ESRRB O95718 1/20 0.43

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
SCHEMBL1709294 0.86 POLB (0.81) POLBNPC1RAB9AALDH1A1CYP1A2
SCHEMBL12664469 0.81 POLB (0.58) POLBNPC1RAB9AALDH1A1CYP1A2
SCHEMBL12845229 0.79 SMN1; SMN2 (0.50) NPC1RAB9AALDH1A1CYP1A2CYP3A4
SCHEMBL5540114 0.78 KDM4E (0.66) POLBNPC1RAB9AALDH1A1CYP1A2
SCHEMBL12935893 0.78 NPC1 (0.66) POLBNPC1RAB9AALDH1A1CYP1A2
SCHEMBL12356333 0.76 POLB (1.00) POLBNPC1RAB9AALDH1A1CYP1A2
SCHEMBL18701732 0.76 HPGD (0.59) POLBNPC1RAB9AALDH1A1CYP1A2
SCHEMBL2584479 0.76 POLB (0.57) POLBNPC1RAB9AALDH1A1CYP1A2
SCHEMBL17509881 0.76 POLB (0.57) POLBNPC1RAB9AALDH1A1CYP1A2
SCHEMBL14497820 0.75 POLB (0.90) POLBNPC1RAB9AALDH1A1CYP1A2

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
CN-102036992-B Switchable special effect substances BASF SE 2014-11-26 CN disclosed
US-20140034623-A1 SWITCHABLE SPECIAL EFFECT SUBSTANCES BASF SE (DE) 2014-02-06 US disclosed
US-20140034623-A1 SWITCHABLE SPECIAL EFFECT SUBSTANCES BASF SE (DE) 2014-02-06 US disclosed
US-20140034623-A1 SWITCHABLE SPECIAL EFFECT SUBSTANCES BASF SE (DE) 2014-02-06 US disclosed
EP-2283021-B1 SWITCHABLE SPECIAL EFFECT SUBSTANCES BASF SE (DE) 2014-01-08 EP disclosed
US-8586745-B2 Switchable special effect substances BASF SE (DE) 2013-11-19 US disclosed
US-8586745-B2 Switchable special effect substances BASF SE (DE) 2013-11-19 US disclosed
CN-102036992-A Switchable special effect substances BASF SE 2011-04-27 CN disclosed
US-20110060113-A1 SWITCHABLE SPECIAL EFFECT SUBSTANCES BASF SE (DE) 2011-03-10 US disclosed
US-20110060113-A1 SWITCHABLE SPECIAL EFFECT SUBSTANCES BASF SE (DE) 2011-03-10 US disclosed
WO-2009141288-A2 SWITCHABLE SPECIAL EFFECT SUBSTANCES BASF SE (DE) 2009-11-26 WO 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 (1 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-20110060113-A1 SWITCHABLE SPECIAL EFFECT SUBSTANCES PPARG, PTGER4, NR2E3 POLB 1526/4885NPC1 1399/4885RAB9A 3007/4885

“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.