SCHEMBL18843167

SCHEMBL18843167

COC(C)(C)C#Cc1c2cc3ccccc3cc2c(C#CC(C)(C)OC)c2cc3sc(-c4ccc(C)cc4)cc3cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 4/20 0.40
▸ ESR2 Q92731 4/20 0.40
▸ ALDH1A1 P00352 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ APP P05067 2/20 0.34
▸ ATM Q13315 4/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ERN1 O75460 2/20 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
SCHEMBL18843171 0.90 MAPK1 (0.34) ESR1ESR2ALDH1A1HPGDNPC1
SCHEMBL18843107 0.82 VCAM1 (0.32) ATM
SCHEMBL18843157 0.80 ATM (0.32) ATML3MBTL1
SCHEMBL18843125 0.80 ALDH1A1 (0.33) ALDH1A1MAPTSMN1; SMN2L3MBTL1CA2
SCHEMBL18843130 0.77 PKM (0.34) CA2
SCHEMBL18843154 0.75 NQO1 (0.32) ATML3MBTL1
SCHEMBL18843155 0.74 HTR6 (0.31) MAPT
SCHEMBL19229650 0.73 ESR1 (0.58) ESR1ESR2ALDH1A1HPGDNPC1
SCHEMBL18843103 0.72 ATM (0.30) ATM
SCHEMBL12397406 0.72 ESR1 (0.38) ESR1ESR2APPERN1HSD17B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170133605-A1 TETRACENOTHIOPHENE DERIVATIVES WITH ALKOXY-C-ALKYNE SOLUBILISING UNITS AND THEIR APPLICATIONS AS ORGANIC SEMICONDUCTORS CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2017-05-11 — — US disclosed
US-20170133605-A1 TETRACENOTHIOPHENE DERIVATIVES WITH ALKOXY-C-ALKYNE SOLUBILISING UNITS AND THEIR APPLICATIONS AS ORGANIC SEMICONDUCTORS CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2017-05-11 — — 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-20170133605-A1 TETRACENOTHIOPHENE DERIVATIVES WITH ALKOXY-C-ALKYNE SOLUBILISING UNITS AND THEIR APPLICATIONS AS ORGANIC SEMICONDUCTORS ALK, TPR, TTI2 ESR1 1905/4885ESR2 3140/4885ALDH1A1 2524/4885

“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.

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