SCHEMBL687158

SCHEMBL687158

CCCCCCCCCCCCc1ccc(C#Cc2ccc(CCCCCCCCCCCC)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.65
TSHR P16473 1/20 0.65
ESR1 P03372 2/20 0.61
ADRA2A P08913 2/20 0.61
ADORA3 P0DMS8 2/20 0.61
TACR2 P21452 2/20 0.61
SLC6A2 P23975 2/20 0.61
SLC6A4 P31645 2/20 0.61
SLC6A3 Q01959 2/20 0.61
ALDH1A1 P00352 2/20 0.61
KDM4E B2RXH2 1/20 0.61
LMNA P02545 1/20 0.61
SHBG P04278 1/20 0.61
TP53 P04637 1/20 0.61
CYP3A4 P08684 1/20 0.61
HSPD1 P10809 1/20 0.61
ADRB3 P13945 1/20 0.61
HTR2C P28335 1/20 0.61
HSPE1 P61604 1/20 0.61
HIF1A Q16665 1/20 0.61

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
SCHEMBL9327043 1.00 HSD17B10 (0.65) HSD17B10TSHRESR1ADRA2AADORA3
SCHEMBL9328266 1.00 HSD17B10 (0.65) HSD17B10TSHRESR1ADRA2AADORA3
SCHEMBL9330376 1.00 HSD17B10 (0.65) HSD17B10TSHRESR1ADRA2AADORA3
SCHEMBL9328135 1.00 HSD17B10 (0.65) HSD17B10TSHRESR1ADRA2AADORA3
SCHEMBL9327124 1.00 HSD17B10 (0.65) HSD17B10TSHRESR1ADRA2AADORA3
SCHEMBL9330328 1.00 HSD17B10 (0.65) HSD17B10TSHRESR1ADRA2AADORA3
SCHEMBL9327044 1.00 HSD17B10 (0.65) HSD17B10TSHRESR1ADRA2AADORA3
SCHEMBL9330316 1.00 HSD17B10 (0.65) HSD17B10TSHRESR1ADRA2AADORA3
SCHEMBL9329731 1.00 HSD17B10 (0.65) HSD17B10TSHRESR1ADRA2AADORA3
SCHEMBL9329712 1.00 HSD17B10 (0.65) HSD17B10TSHRESR1ADRA2AADORA3

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
US-20160333141-A1 GRAPHENE NANORIBBON PRECURSORS AND MONOMERS SUITABLE FOR PREPARATION THEREOF BASF SE (DE) 2016-11-17 US disclosed
US-9434619-B2 Graphene nanoribbon precursors and monomers suitable for preparation thereof BASF SE (DE) 2016-09-06 US disclosed
CN-104080758-B Graphene nanoribbon precursors and monomers suitable for making the same BASF SE (DE) 2016-03-02 CN disclosed
US-20140301936-A1 GRAPHENE NANORIBBON PRECURSORS AND MONOMERS SUITABLE FOR PREPARATION THEREOF BASF SE (DE) 2014-10-09 US disclosed
CN-104080758-A Graphene nanoribbon precursors and monomers suitable for making the same BASF SE 2014-10-01 CN disclosed
EP-2771309-A1 GRAPHENE NANORIBBON PRECURSORS AND MONOMERS SUITABLE FOR PREPARATION THEREOF BASF SE (DE) 2014-09-03 EP disclosed
WO-2013061258-A1 GRAPHENE NANORIBBON PRECURSORS AND MONOMERS SUITABLE FOR PREPARATION THEREOF BASF SE (DE) 2013-05-02 WO disclosed
EP-1724028-B1 METHOD FOR PREPARING THIN FILM OF CONDENSED POLYCYCLC AROMATIC COMPOUND ASAHI CHEMICAL IND (JP) 2012-02-29 EP disclosed
US-7595093-B2 Condensed polycyclic aromatic compound thin film and method for preparing condensed polycyclic aromatic compound thin film ASAHI KASEI CORPORATION (JP) 2009-09-29 US disclosed
US-20070184574-A1 Condensed polycyclic aromatic compound thin film and method for preparing condensed polycyclic aromatic compound thin film ASAHI KASEI CORPORATION (JP) 2007-08-09 US disclosed
EP-1724028-A1 THIN FILM OF CONDENSED POLYCYCLC AROMATIC COMPOUND, AND METHOD FOR PREPARING THIN FILM OF CONDENSED POLYCYCLC AROMATIC COMPOUND Asahi Kasei Kabushiki Kaisha, Ltd. (JP) 2006-11-22 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-20140301936-A1 GRAPHENE NANORIBBON PRECURSORS AND MONOMERS SUITABLE FOR PREPARATION THEREOF SCO2, CBR1, CBR3 HSD17B10 470/4885TSHR 654/4885ESR1 797/4885
US-20160333141-A1 GRAPHENE NANORIBBON PRECURSORS AND MONOMERS SUITABLE FOR PREPARATION THEREOF SCO2, CBR1, CBR3 HSD17B10 470/4885TSHR 654/4885ESR1 797/4885

“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.