SCHEMBL9971887

SCHEMBL9971887

Clc1ccc(-c2ccc(/C=C/c3ccccc3)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.64
KMT2A Q03164 1/20 0.54
AHR P35869 1/20 0.54
NFE2L2 Q16236 2/20 0.53
MAOB P27338 3/20 0.50
CYP1B1 Q16678 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 1/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
CYP19A1 P11511 1/20 0.50
MAOA P21397 1/20 0.50
HDAC2 Q92769 1/20 0.50
PTGES O14684 1/20 0.48
CA1 P00915 1/20 0.47
MGLL Q99685 1/20 0.47
PPARG P37231 1/20 0.46
EGFR P00533 1/20 0.46
MMP1 P03956 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
SCHEMBL14947044 0.93 AHR (0.61) CYP1A2KMT2AAHRNFE2L2MAOB
SCHEMBL699518 0.93 AHR (0.61) CYP1A2KMT2AAHRNFE2L2MAOB
SCHEMBL18416526 0.93 AHR (0.61) CYP1A2KMT2AAHRNFE2L2MAOB
SCHEMBL699519 0.93 AHR (0.61) CYP1A2KMT2AAHRNFE2L2MAOB
SCHEMBL9681143 0.90 AHR (0.64) CYP1A2AHRNFE2L2MAOBALDH1A1
SCHEMBL1335873 0.90 AHR (0.64) CYP1A2AHRNFE2L2MAOBALDH1A1
SCHEMBL9681139 0.90 AHR (0.64) CYP1A2AHRNFE2L2MAOBALDH1A1
SCHEMBL11548873 0.87 MAOB (0.62) KMT2ANFE2L2MAOBCYP19A1MAOA
SCHEMBL83380 0.87 MAOB (0.62) KMT2ANFE2L2MAOBCYP19A1MAOA
SCHEMBL11548871 0.87 MAOB (0.62) KMT2ANFE2L2MAOBCYP19A1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120153815-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-06-21 US disclosed
US-20120153815-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-06-21 US disclosed
US-20110175521-A1 ORGANIC ELECTROLUMESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2011-07-21 US disclosed
US-20110175521-A1 ORGANIC ELECTROLUMESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2011-07-21 US disclosed
US-20100160687-A1 ORGANIC ELECTROLUMESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2010-06-24 US disclosed
US-20100160687-A1 ORGANIC ELECTROLUMESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2010-06-24 US disclosed
US-20070142671-A1 ORGANIC ELECTROLUMESCENCE DEVICE IDEMITSU KOSAN CO., LTD (JP) 2007-06-21 US disclosed
US-20070142671-A1 ORGANIC ELECTROLUMESCENCE DEVICE IDEMITSU KOSAN CO., LTD (JP) 2007-06-21 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 (4 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-20110175521-A1 ORGANIC ELECTROLUMESCENCE DEVICE SCO2, CHRM1, CHRM4 CYP1A2 919/4885KMT2A 2729/4885AHR 1014/4885
US-20100160687-A1 ORGANIC ELECTROLUMESCENCE DEVICE SCO2, CHRM1, CHRM4 CYP1A2 919/4885KMT2A 2729/4885AHR 1014/4885
US-20120153815-A1 ORGANIC ELECTROLUMINESCENCE DEVICE ARL1, RIF1, EML4 CYP1A2 1066/4885KMT2A 2465/4885AHR 11/4885
US-20070142671-A1 ORGANIC ELECTROLUMESCENCE DEVICE SCO2, CHRM1, CHRM4 CYP1A2 919/4885KMT2A 2729/4885AHR 1014/4885

“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.