SCHEMBL2168127

SCHEMBL2168127

c1ccc2c(c1)Cc1cc([N]c3ccc4c(c3)Cc3ccccc3-4)ccc1-2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.57
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
ALDH1A1 P00352 3/20 0.57
MAPT P10636 3/20 0.57
KDM4E B2RXH2 3/20 0.57
HPGD P15428 2/20 0.57
LMNA P02545 2/20 0.57
CYP1A2 P05177 6/20 0.55
CYP3A4 P08684 5/20 0.55
CYP2C19 P33261 4/20 0.55
CYP2C9 P11712 3/20 0.54
SRD5A2 P31213 1/20 0.50
HTR2C P28335 2/20 0.46
HTR2B P41595 2/20 0.46
DRD2 P14416 1/20 0.46
ADRA1D P25100 1/20 0.46
HTR2A P28223 1/20 0.46
HTR7 P34969 1/20 0.46
ADRA1A P35348 1/20 0.46

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
SCHEMBL2165572 0.94 CYP1A2 (0.55) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL2522348 0.92 ALDH1A1 (0.52) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL13747160 0.84 ALDH1A1 (0.53) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL6241465 0.84 CYP1A2 (0.59) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL2720506 0.82 ALDH1A1 (0.70) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL18065739 0.81 ALDH1A1 (0.55) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL5412264 0.80 CYP1A2 (0.49) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL672776 0.80 CYP1A2 (0.49) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL29648833 0.80 CYP1A2 (0.49) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL226568 0.77 CYP1A2 (0.68) SMN1; SMN2NPC1RAB9AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1867623-B1 TERPHENYLENE DERIVATIVES, TETRAHALOTERPHENYL DERIVATIVES AND PROCESSES FOR THE PRODUCTION OF BOTH TOSOH CORP (JP) 2017-05-10 EP disclosed
US-8628863-B2 Indenopyrene compound and organic light-emitting device using the compound CANON KABUSHIKI KAISHA (JP) 2014-01-14 US disclosed
US-8039128-B2 Fluorene compound, organic light emitting device and display device using the fluorene compound CANON KABUSHIKI KAISHA (JP) 2011-10-18 US disclosed
US-20110204354-A1 INDENOPYRENE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING THE COMPOUND CANON KABUSHIKI KAISHA (JP) 2011-08-25 US disclosed
US-7985885-B2 Terphenylene derivative, tetrahaloterphenyl derivative, and processes for producing both TOSOH CORPORATION (JP) 2011-07-26 US disclosed
WO-2010053210-A1 INDENOPYRENE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING THE COMPOUND CANON KABUSHIKI KAISHA (JP) 2010-05-14 WO disclosed
US-20100072885-A1 FLUORENE COMPOUND, ORGANIC LIGHT EMITTING DEVICE AND DISPLAY DEVICE USING THE FLUORENE COMPOUND CANON KABUSHIKI KAISHA (JP) 2010-03-25 US disclosed
US-20090023957-A1 TERPHENYLENE DERIVATIVE, TETRAHALOTERPHENYL DERIVATIVE, AND PROCESSES FOR PRODUCING BOTH TOSOH CORPORATION (JP) 2009-01-22 US disclosed
WO-2008146825-A1 FLUORENE COMPOUND, ORGANIC LIGHT EMITTING DEVICE AND DISPLAY DEVICE USING THE FLUORENE COMPOUND CANON KABUSHIKI KAISHA (JP) 2008-12-04 WO disclosed
EP-1867623-A1 TERPHENYLENE DERIVATIVES, TETRAHALOTERPHENYL DERIVATIVES AND PROCESSES FOR THE PRODUCTION OF BOTH Tosoh Corporation (JP) 2007-12-19 EP 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-20090023957-A1 TERPHENYLENE DERIVATIVE, TETRAHALOTERPHENYL DERIVATIVE, AND PROCESSES FOR PRODUCING BOTH TERT, TLN1, TTI1 SMN1; SMN2 2477/4885NPC1 625/4885RAB9A 1635/4885
US-20100072885-A1 FLUORENE COMPOUND, ORGANIC LIGHT EMITTING DEVICE AND DISPLAY DEVICE USING THE FLUORENE COMPOUND ARL1, AFF1, AFF2 SMN1; SMN2 3419/4885NPC1 4034/4885RAB9A 522/4885
US-20110204354-A1 INDENOPYRENE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING THE COMPOUND PPOX, TYR, CACNA2D2 SMN1; SMN2 4525/4885NPC1 4546/4885RAB9A 4003/4885

“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.