SCHEMBL13562191

SCHEMBL13562191

Clc1ccc2c(ccc3c4c(ccc32)Cc2ccccc2-4)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.44
ITGA1 P56199 1/20 0.40
DRD2 P14416 4/20 0.39
DRD4 P21917 4/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2A6 P11509 1/20 0.39
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CASP6 P55212 2/20 0.35

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
SCHEMBL1984980 0.82 MAOA (0.47) ACHEITGA1DRD2DRD4CYP1A2
SCHEMBL4847777 0.82 HPRT1 (0.50) ACHECYP1A2CYP2A6HPGDKDM4E
SCHEMBL13562177 0.82 NPC1 (0.37) ACHECYP1A2HPGDKDM4ENPC1
SCHEMBL13562173 0.82 TDP1 (0.40) CYP2A6HPGDKDM4ENPC1ALDH1A1
SCHEMBL13562186 0.82 ACHE (0.43) ACHECYP1A2CYP2A6HPGDKDM4E
SCHEMBL4848751 0.80 MAOA (0.50) DRD2DRD4CYP1A2HPGDKDM4E
SCHEMBL19152708 0.76 CA1 (0.48) ACHECYP1A2CYP2A6ALDH1A1CA1
SCHEMBL4852509 0.76 ALDH1A1 (0.42) CYP1A2HPGDKDM4ENPC1ALDH1A1
SCHEMBL4845207 0.76 NPC1 (0.46) DRD2CYP1A2HPGDKDM4ENPC1
SCHEMBL18553369 0.75 TDP1 (0.41) CYP1A2CYP2A6HPGDKDM4ENPC1

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 ACHE 1923/4885ITGA1 4492/4885DRD2 732/4885

“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.