SCHEMBL19019036

SCHEMBL19019036

CCN1C(=O)c2ccc3c4c(ccc(c24)C1=O)C(O)N(CC)C3=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1B1 Q16678 5/20 0.49
▸ ALDH1A1 P00352 4/20 0.46
▸ KDM4E B2RXH2 4/20 0.46
▸ LMNA P02545 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ USP2 O75604 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ KEAP1 Q14145 1/20 0.46
▸ NFE2L2 Q16236 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ HPGD P15428 1/20 0.42
▸ CASP1 P29466 1/20 0.42
▸ MPI P34949 1/20 0.42
▸ CACNA1B Q00975 1/20 0.42
▸ APBA1 Q02410 1/20 0.42
▸ POLB P06746 2/20 0.41
▸ PIN1 Q13526 1/20 0.41
▸ PIN4 Q9Y237 1/20 0.41
▸ ALOX15 P16050 1/20 0.41

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
SCHEMBL22651727 0.81 STAT3 (0.41) CYP1B1ALDH1A1KDM4ELMNAMEN1
SCHEMBL19302159 0.79 KDM4E (0.38) CYP1B1ALDH1A1KDM4ELMNAMEN1
SCHEMBL22203803 0.78 POLB (0.43) CYP1B1ALDH1A1KDM4ELMNAMEN1
SCHEMBL10062480 0.78 CYP1B1 (0.67) CYP1B1ALDH1A1KDM4ELMNAMEN1
SCHEMBL29322874 0.77 KMT2A (0.54) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL19245283 0.74 TERT (0.41) CYP1B1ALDH1A1KDM4ELMNAMEN1
SCHEMBL23987368 0.74 TERT (0.56) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL4465439 0.72 HPGD (0.59) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL6233047 0.72 HPGD (0.59) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL12175676 0.71 CYP1B1 (0.58) CYP1B1ALDH1A1KDM4ELMNAMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170174676-A1 CHLORINATED NAPTHALENETETRACARBOXYLIC ACID DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN ORGANIC ELECTRONICS BASF SE (DE) 2017-06-22 — — 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-20170174676-A1 CHLORINATED NAPTHALENETETRACARBOXYLIC ACID DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN ORGANIC ELECTRONICS SLCO2A1, SLCO2B1, SLC43A3 CYP1B1 490/4885ALDH1A1 1455/4885KDM4E 4317/4885

“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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