SCHEMBL13562176

SCHEMBL13562176

c1ccc(-c2ccc3c(ccc4c3ccc3oc5ccccc5c34)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 1/20 0.47
▸ PLA2G2A P14555 5/20 0.46
▸ PLA2G4A P47712 5/20 0.46
▸ ESR1 P03372 2/20 0.41
▸ ESR2 Q92731 2/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ SENP6 Q9GZR1 1/20 0.41
▸ HCRTR1 O43613 1/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ PLA2G10 O15496 1/20 0.40
▸ GPR84 Q9NQS5 1/20 0.40
▸ AHR P35869 3/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ FYN P06241 2/20 0.40
▸ ABCG2 Q9UNQ0 2/20 0.40
▸ CYP1A1 P04798 1/20 0.40
▸ MAPK3 P27361 1/20 0.40
▸ PAX8 Q06710 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
SCHEMBL22062818 0.88 ESR1 (0.46) PGRPLA2G2APLA2G4AESR1ESR2
SCHEMBL22260257 0.88 PGR (0.47) PGRPLA2G2APLA2G4AESR1ESR2
SCHEMBL16985934 0.87 PLA2G2A (0.50) PGRPLA2G2APLA2G4AHCRTR1L3MBTL1
SCHEMBL20127505 0.87 PGR (0.44) PGRPLA2G2APLA2G4AESR1ESR2
SCHEMBL25660713 0.87 PGR (0.44) PGRPLA2G2APLA2G4AESR1ESR2
SCHEMBL22879757 0.86 L3MBTL1 (0.42) PGRPLA2G2APLA2G4ACASP3SENP7
SCHEMBL25052885 0.86 CASP3 (0.45) PGRPLA2G2APLA2G4ACASP3SENP7
SCHEMBL25868896 0.85 PGR (0.43) PGRPLA2G2APLA2G4AESR1ESR2
SCHEMBL20127343 0.85 PGR (0.43) PGRPLA2G2APLA2G4AESR1ESR2
SCHEMBL22879767 0.85 L3MBTL1 (0.42) PGRPLA2G2APLA2G4ACASP3SENP7

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 4 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-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
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 PGR 1794/4885PLA2G2A 4769/4885PLA2G4A 4813/4885

“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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