SCHEMBL825614

SCHEMBL825614

Cc1cc2c3cc(C)sc3c3sc(C)cc3c2s1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL825761 0.94 PKM (0.37) PKMNPSR1RXFP1ALDH1A1
SCHEMBL19097324 0.91 PKM (0.35) PKMNPSR1RXFP1ALDH1A1
SCHEMBL12275600 0.86 PKM (0.33) PKMNPSR1RXFP1ALDH1A1
SCHEMBL12276071 0.83 PKM (0.32) PKMNPSR1RXFP1ALDH1A1
SCHEMBL15281070 0.83 PKM (0.32) PKMNPSR1RXFP1ALDH1A1
SCHEMBL14441072 0.83 PKM (0.32) PKMNPSR1RXFP1ALDH1A1
SCHEMBL12892777 0.82 PKM (0.39) PKMNPSR1RXFP1ALDH1A1
SCHEMBL21235819 0.82 PKM (0.34) PKMNPSR1RXFP1ALDH1A1
SCHEMBL21235818 0.82 PKM (0.34) PKMNPSR1RXFP1ALDH1A1
SCHEMBL18716721 0.81 PKM (0.31) PKMNPSR1RXFP1

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-20200152395-A1 LAYERED HYBRID ORGANIC-INORGANIC PEROVSKITE MATERIALS UNIVERSITEIT HASSELT (BE) 2020-05-14 US disclosed
EP-2588527-B1 HOLE TRANSPORT COMPOSITIONS AND RELATED DEVICES AND METHODS (I) NISSAN CHEMICAL IND LTD (JP) 2017-10-25 EP disclosed
US-20170186953-A1 HOLE TRANSPORT COMPOSITIONS AND RELATED DEVICES AND METHODS (I) NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-06-29 US disclosed
US-20170186953-A1 HOLE TRANSPORT COMPOSITIONS AND RELATED DEVICES AND METHODS (I) NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-06-29 US disclosed
US-8815639-B2 Hole transport compositions and related devices and methods (II) SOLVAY USA, INC. (US) 2014-08-26 US disclosed
US-8815639-B2 Hole transport compositions and related devices and methods (II) SOLVAY USA, INC. (US) 2014-08-26 US disclosed
US-8535974-B2 Hole transport compositions and related devices and methods (II) PLEXTRONICS, INC. (US) 2013-09-17 US disclosed
US-8535974-B2 Hole transport compositions and related devices and methods (II) PLEXTRONICS, INC. (US) 2013-09-17 US disclosed
US-20120003790-A1 HOLE TRANSPORT COMPOSITIONS AND RELATED DEVICES AMD METHODS (II) PLEXTRONICS, INC. 2012-01-05 US disclosed
US-20120003790-A1 HOLE TRANSPORT COMPOSITIONS AND RELATED DEVICES AMD METHODS (II) PLEXTRONICS, INC. 2012-01-05 US disclosed
WO-2012003485-A2 HOLE TRANSPORT COMPOSITIONS AND RELATED DEVICES AND METHODS (I) PLEXTRONICS, INC. (US) 2012-01-05 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 (1 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-20200152395-A1 LAYERED HYBRID ORGANIC-INORGANIC PEROVSKITE MATERIALS NCL, KCNN4, SLC9A3 PKM 3266/4885NPSR1 3017/4885RXFP1 3699/4885

“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.