SCHEMBL4279899

SCHEMBL4279899

CCCC(CC)CC(CC)CCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
TSHR P16473 2/20 0.38
CYP3A4 P08684 2/20 0.38
CA2 P00918 3/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
CHRM1 P11229 1/20 0.30
AKR1A1 P14550 1/20 0.30
CHRM3 P20309 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
ADRA1A P35348 1/20 0.30
HRH1 P35367 1/20 0.30
DRD3 P35462 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL4270236 0.97 ALDH1A1 (0.38) ALDH1A1TDP1TSHRCYP3A4CA2
SCHEMBL1405019 0.97 ALDH1A1 (0.38) ALDH1A1TDP1TSHRCYP3A4CA2
SCHEMBL29134264 0.90 ALDH1A1 (0.38) ALDH1A1TDP1TSHRCYP3A4CA2
SCHEMBL4268477 0.88 ALDH1A1 (0.56) ALDH1A1TDP1TSHRCYP3A4CA2
SCHEMBL4274268 0.86 ALDH1A1 (0.48) ALDH1A1TDP1TSHRCYP3A4CA2
SCHEMBL4654193 0.86 ALDH1A1 (0.54) ALDH1A1TDP1TSHRCYP3A4CA2
SCHEMBL4609745 0.86 ALDH1A1 (0.32) ALDH1A1TDP1TSHRCYP3A4
SCHEMBL4270252 0.86 ALDH1A1 (0.54) ALDH1A1TDP1TSHRCYP3A4CA2
SCHEMBL3100472 0.86 CA2 (0.32) ALDH1A1TDP1TSHRCYP3A4CA2
SCHEMBL9172052 0.86 ALDH1A1 (0.54) ALDH1A1TDP1TSHRCYP3A4CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110407963-A Catalytic component and preparation method thereof for olefinic polymerization CHINA PETROLEUM & CHEM CORP 2019-11-05 CN disclosed
US-10230023-B2 Color converter BASF SE (DE) 2019-03-12 US disclosed
EP-2718395-B1 Novel illumination device comprising a colour converter BASF SE (DE) 2018-02-28 EP disclosed
US-20160284947-A1 NOVEL COLOR CONVERTER BASF SE (DE) 2016-09-29 US disclosed
US-9406848-B2 Color converter BASF SE (DE) 2016-08-02 US disclosed
EP-2718395-A1 NOVEL COLOR CONVERTER BASF SE (DE) 2014-04-16 EP disclosed
WO-2012168395-A1 NOVEL COLOR CONVERTER BASF SE (DE) 2012-12-13 WO disclosed
WO-2009037283-A1 METHOD FOR PRODUCING SUBSTRATES COATED WITH RYLENE TETRACARBOLIC ACID DIIMIDES BASF SE (DE) 2009-03-26 WO disclosed
US-20090078312-A1 VERFAHREN ZUR HERSTELLUNG VON MIT RYLENTETRACARBONSAEUREDIIMIDEN BESCHICHTETEN SUBSTRATEN BASF SE (DE) 2009-03-26 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 (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-20090078312-A1 VERFAHREN ZUR HERSTELLUNG VON MIT RYLENTETRACARBONSAEUREDIIMIDEN BESCHICHTETEN SUBSTRATEN AXIN2, NCSTN, NES ALDH1A1 3203/4885TDP1 4452/4885TSHR 3585/4885

“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.