SCHEMBL19972045

SCHEMBL19972045

c1ccc(Oc2ccccc2-c2nc3ccccc3o2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.59
ALDH1A1 P00352 6/20 0.49
KDM4E B2RXH2 5/20 0.49
MAPT P10636 5/20 0.49
HPGD P15428 5/20 0.49
USP2 O75604 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
TOP2A P11388 1/20 0.48
PTGS2 P35354 3/20 0.47
C1R P00736 1/20 0.47
NPC1 O15118 6/20 0.47
RAB9A P51151 5/20 0.47
TP53 P04637 3/20 0.47
HSD17B10 Q99714 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
PKM P14618 2/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47

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
SCHEMBL9115511 0.87 HSD17B10 (0.50) ELANEALDH1A1KDM4EMAPTHPGD
SCHEMBL21753749 0.81 TOP2A (0.50) ALDH1A1KDM4EMAPTHPGDUSP2
SCHEMBL18976994 0.81 NPC1 (0.50) ALDH1A1KDM4EMAPTHPGDUSP2
SCHEMBL21752783 0.81 PTGS2 (0.52) ALDH1A1KDM4EMAPTHPGDUSP2
SCHEMBL31048510 0.81 C1R (0.64) ELANEALDH1A1KDM4EMAPTHPGD
SCHEMBL13495717 0.81 C1R (0.64) ELANEALDH1A1KDM4EMAPTHPGD
SCHEMBL21699677 0.81 NPC1 (0.53) ALDH1A1KDM4EMAPTHPGDUSP2
SCHEMBL18660125 0.79 TOP2A (0.49) ALDH1A1KDM4EMAPTHPGDUSP2
SCHEMBL18660133 0.79 TOP2A (0.49) ALDH1A1KDM4EMAPTHPGDUSP2
SCHEMBL29504749 0.79 TOP2A (0.62) ALDH1A1KDM4EMAPTHPGDUSP2

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-9957241-B2 Aromatic diamine, an intermediate therefor, a method for producing the aromatic diamine, and a method for producing the intermediate therefor SEIKA CORPORATION (JP) 2018-05-01 US disclosed
US-20180079732-A1 AROMATIC DIAMINE, AN INTERMEDIATE THEREFOR, A METHOD FOR PRODUCING THE AROMATIC DIAMINE, AND A METHOD FOR PRODUCING THE INTERMEDIATE THEREFOR SEIKA CORPORATION (JP) 2018-03-22 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-20180079732-A1 AROMATIC DIAMINE, AN INTERMEDIATE THEREFOR, A METHOD FOR PRODUCING THE AROMATIC DIAMINE, AND A METHOD FOR PRODUCING THE INTERMEDIATE THEREFOR WEE1, WEE2, WASF2 ELANE 4777/4885ALDH1A1 544/4885KDM4E 1441/4885

“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.