SCHEMBL13562001

SCHEMBL13562001

CCCc1cc2ccc3c4cc5ccccc5cc4ccc3c2n1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HIF1A Q16665 1/20 0.34
CYP1B1 Q16678 1/20 0.34
TDP1 Q9NUW8 2/20 0.32
ATM Q13315 2/20 0.31
HRH3 Q9Y5N1 1/20 0.31
CYP1A2 P05177 2/20 0.31
KMT2A Q03164 2/20 0.31
HPGD P15428 1/20 0.31
MEN1 O00255 1/20 0.31
RAB9A P51151 1/20 0.31
CYP2A6 P11509 2/20 0.31
BACE1 P56817 1/20 0.31
DRD2 P14416 1/20 0.31
SLC6A4 P31645 1/20 0.31
PRNP P04156 1/20 0.31
PDE10A Q9Y233 1/20 0.30
GAA P10253 1/20 0.30
PKM P14618 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
SCHEMBL13561999 0.92 OXER1 (0.36) HSD17B10ALDH1A1HIF1ACYP1B1TDP1
SCHEMBL13562000 0.91 OXER1 (0.37) ATMKMT2AMEN1
SCHEMBL13561998 0.88 ALDH1A1 (0.36) HSD17B10ALDH1A1HIF1ACYP1B1TDP1
SCHEMBL12278799 0.88
SCHEMBL12278792 0.79 GPR84 (0.37) TDP1CYP1A2
SCHEMBL12279260 0.78 CCNE2 (0.33)
SCHEMBL13562002 0.77 ALDH1A1 (0.39) HSD17B10ALDH1A1HIF1ACYP1B1TDP1
SCHEMBL12278052 0.77 MTNR1A (0.35) KMT2A
SCHEMBL12277966 0.77 MTNR1A (0.35)
SCHEMBL12279465 0.77 GPR84 (0.43)

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 3 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

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 HSD17B10 988/4885ALDH1A1 2172/4885HIF1A 2443/4885

“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.