Hexane

Hexane

SCHEMBL250970

CCCCCC.ClCCl.c1ccncc1

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.47
TDP1 Q9NUW8 3/20 0.47
NAPRT Q6XQN6 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP2 P42575 1/20 0.38
RAD52 P43351 3/20 0.37
HSPD1 P10809 1/20 0.37
HSPE1 P61604 1/20 0.37
POLB P06746 1/20 0.36
THRB P10828 1/20 0.35
PLA2G1B P04054 2/20 0.34
HSP90AA1 P07900 2/20 0.34
ATG4B Q9Y4P1 2/20 0.34
CHRM2 P08172 2/20 0.34

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
Hexane SCHEMBL11222760 0.92 TSHR (0.56) TSHRTDP1NAPRTL3MBTL1ALDH1A1
Hexane SCHEMBL5964926 0.92 TSHR (0.56) TSHRTDP1NAPRTL3MBTL1ALDH1A1
Pyridine SCHEMBL988718 0.90 TSHR (0.55) TSHRTDP1NAPRTL3MBTL1ALDH1A1
Tetradecane SCHEMBL27729242 0.89 TSHR (0.53) TSHRTDP1NAPRTL3MBTL1MAPT
Pyridine SCHEMBL27689622 0.89 TSHR (0.53) TSHRTDP1NAPRTL3MBTL1MAPT
Hexadecane SCHEMBL27657619 0.89 TSHR (0.53) TSHRTDP1NAPRTL3MBTL1MAPT
Heptane SCHEMBL5680251 0.89 TSHR (0.53) TSHRTDP1NAPRTL3MBTL1MAPT
Dodecane SCHEMBL3262468 0.89 TSHR (0.53) TSHRTDP1NAPRTL3MBTL1MAPT
Octane SCHEMBL11323035 0.89 TSHR (0.53) TSHRTDP1NAPRTL3MBTL1MAPT
Pyridine SCHEMBL7142445 0.88 TSHR (0.59) TSHRTDP1NAPRTL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10256421-B2 Fusing porphyrins with polycyclic aromatic hydrocarbons and heterocycles for optoelectronic applications UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2019-04-09 US disclosed
EP-2470543-B1 VISIBLE/NIR PHOTODETECTORS UNIV MICHIGAN REGENTS (US) 2017-07-26 EP disclosed
US-20170092883-A1 FUSING PORPHYRINS WITH POLYCYCLIC AROMATIC HYDROCARBONS AND HETEROCYCLES FOR OPTOELECTRONIC APPLICATIONS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2017-03-30 US disclosed
US-20150318479-A1 Visible/Near-Infrared Porphyrin-Tape/C60 Organic Photodetectors UNIVERSITY OF SOUTHERN CALIFORNIA 2015-11-05 US disclosed
US-20150280149-A1 FUSING PORPHYRINS WITH POLYCYCLIC AROMATIC HYDROCARBONS AND HETEROCYCLES FOR OPTOELECTRONIC APPLICATIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2015-10-01 US disclosed
US-9113535-B2 Fusing porphyrins with polycyclic aromatic hydrocarbons and heterocycles for optoelectronic applications THE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2015-08-18 US disclosed
US-9017826-B2 Visible/near-infrared porphyrin-tape/C60 organic photodetectors THE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2015-04-28 US disclosed
EP-2590983-A2 FUSING PORPHYRINS WITH POLYCYCLIC AROMATIC HYDROCARBONS AND HETEROCYCLES FOR OPTOELECTRIC APPLICATIONS The University Of Southern California (US) 2013-05-15 EP disclosed
EP-2470543-A1 VISIBLE/NIR PHOTODETECTORS The Regents of the University of Michigan (US) 2012-07-04 EP disclosed
WO-2012012117-A2 FUSING PORPHYRINS WITH POLYCYCLIC AROMATIC HYDROCARBONS AND HETEROCYCLES FOR OPTOELECTRIC APPLICATIONS The University of Southern California USC Stevens Institute for Innovation (US) 2012-01-26 WO disclosed
US-20120001155-A1 FUSING PORPHYRINS WITH POLYCYCLIC AROMATIC HYDROCARBONS AND HETEROCYCLES FOR OPTOELECTRONIC APPLICATIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-01-05 US disclosed
US-20110168984-A1 VISIBLE/NEAR-INFRARED PORPHYRIN-TAPE/C60 ORGANICPHOTODETECTORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-07-14 US disclosed
WO-2011028610-A1 VISIBLE/NIR PHOTODETECTORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-03-10 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 (6 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-20150318479-A1 Visible/Near-Infrared Porphyrin-Tape/C60 Organic Photodetectors PAH, PPOX, AHR TSHR 3753/4885TDP1 851/4885NAPRT 1519/4885
US-10256421-B2 Fusing porphyrins with polycyclic aromatic hydrocarbons and heterocycles for optoelectronic applications PPOX, HMBS, TYR TSHR 4262/4885TDP1 2221/4885NAPRT 1356/4885
US-20110168984-A1 VISIBLE/NEAR-INFRARED PORPHYRIN-TAPE/C60 ORGANICPHOTODETECTORS PAH, PPOX, AHR TSHR 3683/4885TDP1 805/4885NAPRT 1687/4885
US-20150280149-A1 FUSING PORPHYRINS WITH POLYCYCLIC AROMATIC HYDROCARBONS AND HETEROCYCLES FOR OPTOELECTRONIC APPLICATIONS PPOX, HMBS, TYR TSHR 4321/4885TDP1 2401/4885NAPRT 1574/4885
US-20120001155-A1 FUSING PORPHYRINS WITH POLYCYCLIC AROMATIC HYDROCARBONS AND HETEROCYCLES FOR OPTOELECTRONIC APPLICATIONS PPOX, HMBS, NONO TSHR 4284/4885TDP1 2402/4885NAPRT 1696/4885
US-20170092883-A1 FUSING PORPHYRINS WITH POLYCYCLIC AROMATIC HYDROCARBONS AND HETEROCYCLES FOR OPTOELECTRONIC APPLICATIONS PPOX, HMBS, TYR TSHR 4321/4885TDP1 2401/4885NAPRT 1574/4885

“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.