SCHEMBL18852799

SCHEMBL18852799

Cc1nc(C)c2c(n1)oc1ccc3ccccc3c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HNF4A P41235 1/20 0.47
▸ CYP3A4 P08684 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ TDP1 Q9NUW8 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ HIF1A Q16665 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
SCHEMBL25847178 0.81 SMN1; SMN2 (0.44) HPGDCYP1A2ALDH1A1KDM4EMEN1
SCHEMBL18852791 0.79 KMT2A (0.45) HNF4ACYP3A4HPGDCYP1A2ALDH1A1
SCHEMBL18852810 0.77 ELANE (0.37) HPGDCYP1A2ALDH1A1MEN1GAA
SCHEMBL18852793 0.76 ALDH1A1 (0.43) HNF4ACYP3A4HPGDCYP1A2ALDH1A1
SCHEMBL18852818 0.75 GPR3 (0.35) HPGDCYP1A2ALDH1A1KDM4EMEN1
SCHEMBL415466 0.74 TDP1 (0.55) HNF4ACYP3A4HPGDCYP1A2ALDH1A1
SCHEMBL30091394 0.74 TDP1 (0.55) HNF4ACYP3A4HPGDCYP1A2ALDH1A1
SCHEMBL6650417 0.74 TYMS (0.51) HNF4ACYP3A4HPGDCYP1A2ALDH1A1
SCHEMBL24816077 0.70 HPGD (0.44) HPGDCYP1A2ALDH1A1KDM4EMEN1
SCHEMBL18810726 0.69 ALDH1A1 (0.52) HNF4ACYP3A4HPGDCYP1A2ALDH1A1

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-20170141331-A1 ORGANIC COMPOUND, ORGANIC OPTOELECTRONIC ELEMENT, AND DISPLAY DEVICE SAMSUNG SDI CO.,LTD. (KR) 2017-05-18 — — 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-20170141331-A1 ORGANIC COMPOUND, ORGANIC OPTOELECTRONIC ELEMENT, AND DISPLAY DEVICE OCIAD1, OXER1, OCIAD2 HNF4A 2224/4885CYP3A4 272/4885HPGD 3408/4885

“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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