SCHEMBL19810100

SCHEMBL19810100

c1ccc2cc3cc4cc5cc6cc7c(cc6cc5cc4cc3cc2c1)CCCC7

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 4/20 0.42
TDP1 Q9NUW8 2/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
HBB P68871 1/20 0.42
HIF1A Q16665 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KIF11 P52732 1/20 0.41
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
STS P08842 1/20 0.36
GLA P06280 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL4541419 1.00 TSHR (0.52) TSHRMEN1KMT2AALDH1A1TDP1
SCHEMBL29750140 1.00 TSHR (0.52) TSHRMEN1KMT2AALDH1A1TDP1
SCHEMBL28311292 1.00 TSHR (0.52) TSHRMEN1KMT2AALDH1A1TDP1
SCHEMBL29750226 1.00 TSHR (0.52) TSHRMEN1KMT2AALDH1A1TDP1
SCHEMBL5491066 1.00 TSHR (0.52) TSHRMEN1KMT2AALDH1A1TDP1
SCHEMBL11810800 0.97 TSHR (0.50) TSHRMEN1KMT2AALDH1A1TDP1
SCHEMBL7166999 0.95 TSHR (0.46) TSHRMEN1KMT2AALDH1A1TDP1
SCHEMBL322056 0.95 TSHR (0.58) TSHRMEN1KMT2AALDH1A1TDP1
SCHEMBL29807605 0.95 TSHR (0.58) TSHRMEN1KMT2AALDH1A1TDP1
SCHEMBL599885 0.89 TSHR (0.50) TSHRMEN1KMT2AALDH1A1KIF11

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-10604469-B2 Method for the preparation of a partially hydrogenated polyacene and an intermediate thereof FUNDACIO INSTITUT CATALA D'INVESTIGACIO QUIMICA (ES) 2020-03-31 US claimed
US-20190161426-A1 METHOD FOR THE PREPARATION OF A PARTIALLY HYDROGENATED POLYACENE AND AN INTERMEDIATE THEREOF UNIVERSITAT ROVIRA I VIRGILI (ES) 2019-05-30 US claimed
WO-2018019436-A1 METHOD FOR THE PREPARATION OF A PARTIALLY HYDROGENATED POLYACENE AND AN INTERMEDIATE THEREOF FUNDACIÓ INSTITUT CATALÀ D'INVESTIGACIÓ QUÍMICA (ICIQ) (ES) 2018-02-01 WO claimed
EP-3275876-A1 METHOD FOR THE PREPARATION OF A PARTIALLY HYDROGENATED POLYACENE AND AN INTERMEDIATE THEREOF Fundació Institut Català D'investigació Quimica (ES) 2018-01-31 EP claimed
US-10604469-B2 Method for the preparation of a partially hydrogenated polyacene and an intermediate thereof FUNDACIO INSTITUT CATALA D'INVESTIGACIO QUIMICA (ES) 2020-03-31 US disclosed
US-20190161426-A1 METHOD FOR THE PREPARATION OF A PARTIALLY HYDROGENATED POLYACENE AND AN INTERMEDIATE THEREOF UNIVERSITAT ROVIRA I VIRGILI (ES) 2019-05-30 US disclosed
WO-2018019436-A1 METHOD FOR THE PREPARATION OF A PARTIALLY HYDROGENATED POLYACENE AND AN INTERMEDIATE THEREOF FUNDACIÓ INSTITUT CATALÀ D'INVESTIGACIÓ QUÍMICA (ICIQ) (ES) 2018-02-01 WO disclosed
EP-3275876-A1 METHOD FOR THE PREPARATION OF A PARTIALLY HYDROGENATED POLYACENE AND AN INTERMEDIATE THEREOF Fundació Institut Català D'investigació Quimica (ES) 2018-01-31 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-10604469-B2 Method for the preparation of a partially hydrogenated polyacene and an intermediate thereof PARN, PCBP1, PARG TSHR 4466/4885MEN1 973/4885KMT2A 528/4885
US-20190161426-A1 METHOD FOR THE PREPARATION OF A PARTIALLY HYDROGENATED POLYACENE AND AN INTERMEDIATE THEREOF PARN, PCBP1, PARG TSHR 4466/4885MEN1 973/4885KMT2A 528/4885

“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.