SCHEMBL68795

SCHEMBL68795

[c]1ccc2ccc3cc[c]nc3c2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.39
CCR5 P51681 2/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 1/20 0.32
GMNN O75496 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
HSP90AA1 P07900 1/20 0.32
MMP2 P08253 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
MMP9 P14780 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
MMP8 P22894 1/20 0.32
THPO P40225 1/20 0.32
MTOR P42345 1/20 0.32
HTT P42858 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
SCHEMBL67041 0.82 CCR1 (0.64) CCR1CCR5KDM4EGMNNLMNA
SCHEMBL2408042 0.78 CCR1 (0.33) CCR1CCR5KDM4EGMNNLMNA
SCHEMBL5436901 0.76 TNF (0.36)
SCHEMBL2304470 0.74 METAP2 (0.38) CCR1CCR5RAB9ALMNA
SCHEMBL1828122 0.74 SMN1; SMN2 (0.36) RAB9AKDM4ELMNAMAPTTSHR
SCHEMBL1828724 0.74 CYP1A2 (0.37) RAB9ALMNAHSP90AA1MAPTTDP1
SCHEMBL3107286 0.70 LMNA (0.39) KDM4ELMNACYP3A4TSHRHIF1A
SCHEMBL16289495 0.70 ALDH1A1 (0.32)
SCHEMBL16289256 0.70
SCHEMBL5750786 0.70 HTT (0.40) KDM4EMAPTALOX15TSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0729938-B1 A method for producing aryl alkyl hydroperoxides MITSUI CHEMICALS INC (JP) 2001-09-05 EP claimed
US-5945572-A Method for producing aryl alkyl hydroperoxides MITSUI CHEMICALS, INC. (JP) 1999-08-31 US claimed
EP-0729938-A2 A method for producing aryl alkyl hydroperoxides MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1996-09-04 EP claimed
CN-110914269-B Process for producing macrocyclic compound 住友化学株式会社 2022-07-29 CN disclosed
CN-111116581-B 2, 9-diamide-1, 10-phenanthroline compound, and synthesis method and application thereof 清华大学 2021-06-08 CN disclosed
CN-111116581-A 2, 9-diamide-1, 10-phenanthroline compound, and synthesis method and application thereof 清华大学 2020-05-08 CN disclosed
CN-110914269-A Process for producing macrocyclic compound 住友化学株式会社 2020-03-24 CN disclosed
US-8129899-B1 Azafluorene derivative and organic light-emitting device using the derivative CANON KABUSHIKI KAISHA (JP) 2012-03-06 US disclosed
US-20120049176-A1 AZAFLUORENE DERIVATIVE AND ORGANIC LIGHT-EMITTING DEVICE USING THE DERIVATIVE CANON KABUSHIKI KAISHA (JP) 2012-03-01 US disclosed
US-8110685-B2 Efficient, durable electron transport layers; low driving voltage; simple, low cost production CANON KABUSHIKI KAISHA (JP) 2012-02-07 US disclosed
WO-2011105700-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2011-09-01 WO disclosed
US-20090306368-A1 POLYNUCLEAR COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-12-10 US disclosed
EP-2093227-A1 POLYNUCLEAR COMPLEX Sumitomo Chemical Company, Limited (JP) 2009-08-26 EP disclosed
US-20080154040-A1 AZAFLUORENE DERIVATIVE AND ORGANIC LIGHT-EMITTING DEVICE USING THE DERIVATIVE CANON KABUSHIKI KAISHA (JP) 2008-06-26 US disclosed
EP-0729938-B1 A method for producing aryl alkyl hydroperoxides MITSUI CHEMICALS INC (JP) 2001-09-05 EP disclosed
US-6028193-A CATALYZING THE OXIDATION REACTION IN PRESENCE OF A TRANSITION METAL COMPLEX WHICH CONTAINS A CYCLIC POLYFUNCTIONAL AMINE COMPOUND HAVING AT LEAST THREE NITROGEN ATOMS IN THE RING FORMING MOLECULAR MITSUI CHEMICALS, INC. (JP) 2000-02-22 US disclosed
US-5945572-A Method for producing aryl alkyl hydroperoxides MITSUI CHEMICALS, INC. (JP) 1999-08-31 US disclosed
US-5847227-A Method for producing aryl alkyl hydroperoxides MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1998-12-08 US disclosed
EP-0729938-A2 A method for producing aryl alkyl hydroperoxides MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1996-09-04 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 (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-20080154040-A1 AZAFLUORENE DERIVATIVE AND ORGANIC LIGHT-EMITTING DEVICE USING THE DERIVATIVE AZI2, CYP1A2, CYP2C19 CCR1 4781/4885CCR5 4567/4885RAB9A 2655/4885
US-20090306368-A1 POLYNUCLEAR COMPLEX AP2M1, HNRNPH3, NDUFC2 CCR1 1501/4885CCR5 2328/4885RAB9A 3956/4885

“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.