SCHEMBL13562270

SCHEMBL13562270

CCCCCC/C=C/c1ccc(OC)c(C=O)c1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 1/20 0.44
▸ LTA4H P09960 1/20 0.43
▸ EPHX2 P34913 1/20 0.41
▸ HTR1A P08908 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ TRPV1 Q8NER1 1/20 0.40
▸ GLO1 Q04760 1/20 0.40

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
SCHEMBL13562271 0.81 TNNC1 (0.36) TOP2A
SCHEMBL13562266 0.81 APP (0.48) —
SCHEMBL28721892 0.79 ALDH1A1 (0.46) ALDH1A1TSHRGLO1
SCHEMBL30240162 0.78 HTR1A (0.57) TOP2ALTA4HHTR1AALDH1A1TSHR
SCHEMBL3276646 0.77 FDPS (0.67) ALDH1A1TSHR
SCHEMBL13902230 0.77 EPHX2 (0.41) LTA4HEPHX2HTR1ATRPV1
SCHEMBL19215320 0.77 ALDH1A1 (0.46) ALDH1A1TSHR
SCHEMBL2011338 0.76 TNNC1 (0.51) ALDH1A1TSHRTRPV1
SCHEMBL2011336 0.76 TNNC1 (0.51) ALDH1A1TSHRTRPV1
SCHEMBL6056760 0.76 TUBB1 (0.45) TOP2A

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-8766243-B2 Heterocycle-containing asymmetric aromatic compound, compound for organic thin film transistor, and organic thin film transistor using the same IDEMITSU KOSAN CO., LTD. (JP) 2014-07-01 — — US disclosed
US-20120273768-A1 HETEROCYCLE-CONTAINING ASYMMETRIC AROMATIC COMPOUND, COMPOUND FOR ORGANIC THIN FILM TRANSISTOR, AND ORGANIC THIN FILM TRANSISTOR USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-11-01 — — 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-20120273768-A1 HETEROCYCLE-CONTAINING ASYMMETRIC AROMATIC COMPOUND, COMPOUND FOR ORGANIC THIN FILM TRANSISTOR, AND ORGANIC THIN FILM TRANSISTOR USING THE SAME TCF4, TPR, H1-4 TOP2A 679/4885LTA4H 2360/4885EPHX2 1842/4885

“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.

Send feedback