SCHEMBL19218273

SCHEMBL19218273

c1cc(-c2ccc3ccccc3c2)cc(N(c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3ccccc32)c2ccc3c4ccccc4c4ccccc4c3c2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.35
HSD17B2 P37059 2/20 0.35
CYP17A1 P05093 1/20 0.31
CYP19A1 P11511 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
CHRNA1 P02708 1/20 0.31
CHRNG P07510 1/20 0.31
CHRNB1 P11230 1/20 0.31
CHRNB2 P17787 1/20 0.31
SLC6A2 P23975 1/20 0.31
CHRNB4 P30926 1/20 0.31
SLC6A4 P31645 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
SLC6A3 Q01959 1/20 0.31
CHRND Q07001 1/20 0.31
GSTP1 P09211 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31

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
SCHEMBL19218275 0.93 GSTP1 (0.31) GSTP1ESR1ESR2ALOX5
SCHEMBL19218227 0.93 HSD17B1 (0.35) HSD17B1HSD17B2CYP17A1CYP19A1CYP11B1
SCHEMBL19218269 0.93 ESR1 (0.35) HSD17B1HSD17B2SLC6A2SLC6A4SLC6A3
SCHEMBL19221287 0.92 PDK2 (0.31)
SCHEMBL19218252 0.90 PDK2 (0.35)
SCHEMBL24904832 0.90 PDK2 (0.32) HSD17B1HSD17B2
SCHEMBL22425437 0.89 HSD17B1 (0.37) HSD17B1HSD17B2CYP17A1CYP19A1CYP11B1
SCHEMBL19218239 0.89 PDK2 (0.33)
SCHEMBL19218266 0.89 HPRT1 (0.32)
SCHEMBL19218271 0.88 MCL1 (0.35) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2

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-10243148-B2 Aromatic amine compound, and organic electroluminescent elements including the compound IDEMITSU KOSAN CO., LTD. (JP) 2019-03-26 US disclosed
US-20170229649-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2017-08-10 US disclosed
US-20170229649-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2017-08-10 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 (2 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-10243148-B2 Aromatic amine compound, and organic electroluminescent elements including the compound H1-10, H1-0, H1-4 HSD17B1 3861/4885HSD17B2 3802/4885CYP17A1 3074/4885
US-20170229649-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE L1CAM, LEF1, PIEZO1 HSD17B1 3413/4885HSD17B2 3473/4885CYP17A1 3158/4885

“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.