SCHEMBL20151013

SCHEMBL20151013

CP(=O)(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.64
HPGD P15428 1/20 0.54
LMNA P02545 1/20 0.45
ALDH1A1 P00352 3/20 0.45
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA5A P35218 1/20 0.44
MMP8 P22894 1/20 0.44
MMP14 P50281 1/20 0.44
CA14 Q9ULX7 1/20 0.44
ACP3 P15309 2/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PTPN5 P54829 1/20 0.42
TAAR1 Q96RJ0 2/20 0.41
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CTDSP1 Q9GZU7 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
SCHEMBL21922669 0.88 ESR1 (0.52) ESR1HPGDLMNAALDH1A1CA2
SCHEMBL21922968 0.88 ESR1 (0.52) ESR1HPGDLMNAALDH1A1CA2
SCHEMBL115791 0.87 ESR1 (0.71) ESR1HPGDALDH1A1CA2CA4
SCHEMBL21922671 0.85 ESR1 (0.53) ESR1HPGDLMNAALDH1A1CA2
SCHEMBL19448976 0.84 LMNA (0.54) ESR1LMNAALDH1A1CA2CA4
SCHEMBL9001586 0.84 LMNA (0.54) ESR1LMNAALDH1A1CA2CA4
SCHEMBL9001620 0.84 LMNA (0.54) ESR1LMNAALDH1A1CA2CA4
SCHEMBL25435946 0.84 ESR1 (0.68) ESR1HPGDALDH1A1CA2CA4
SCHEMBL22174892 0.81 LMNA (0.56) ESR1LMNAALDH1A1CA2CA4
SCHEMBL11145592 0.81 ALDH1A1 (0.53) LMNAALDH1A1CA2CA4CA5A

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-11031560-B2 Compound and organic electronic element comprising same LG CHEM, LTD. (KR) 2021-06-08 US disclosed
US-20180138422-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-17 US disclosed
US-20180138422-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-17 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-11031560-B2 Compound and organic electronic element comprising same OR10J3, ESR1, ETV6 ESR1 2/4885HPGD 4158/4885LMNA 4004/4885
US-20180138422-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ESR1, ETV6 ESR1 2/4885HPGD 4158/4885LMNA 4004/4885

“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.