SCHEMBL13562302

SCHEMBL13562302

CCCCCCCCc1ccc2c(ccc3c2ccc2c4ccccc4oc23)c1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 4/20 0.45
▸ MAPT P10636 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ RORA P35398 1/20 0.42
▸ RORC P51449 1/20 0.42
▸ RORB Q92753 1/20 0.42
▸ GPR3 P46089 1/20 0.39

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
SCHEMBL15848797 1.00 PTPN1 (0.45) PTPN1MAPTCYP1A2CYP2D6CYP2C19
SCHEMBL15848809 1.00 PTPN1 (0.45) PTPN1MAPTCYP1A2CYP2D6CYP2C19
SCHEMBL15848810 1.00 PTPN1 (0.45) PTPN1MAPTCYP1A2CYP2D6CYP2C19
SCHEMBL15848796 1.00 PTPN1 (0.45) PTPN1MAPTCYP1A2CYP2D6CYP2C19
SCHEMBL15848806 1.00 PTPN1 (0.45) PTPN1MAPTCYP1A2CYP2D6CYP2C19
SCHEMBL15848795 1.00 PTPN1 (0.45) PTPN1MAPTCYP1A2CYP2D6CYP2C19
SCHEMBL15848808 1.00 PTPN1 (0.45) PTPN1MAPTCYP1A2CYP2D6CYP2C19
SCHEMBL15848807 1.00 PTPN1 (0.45) PTPN1MAPTCYP1A2CYP2D6CYP2C19
SCHEMBL13562219 0.99 PTPN1 (0.46) PTPN1MAPTCYP1A2CYP2D6CYP2C19
SCHEMBL13562218 0.95 PTPN1 (0.49) PTPN1MAPTCYP1A2CYP2D6CYP2C19

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 PTPN1 3685/4885MAPT 391/4885CYP1A2 160/4885

“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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