SCHEMBL22452152

SCHEMBL22452152

c1ccc(-c2cc3ccccc3cc2-c2ccc(N(c3ccccc3)c3ccc4ccccc4c3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.45
GSTP1 P09211 1/20 0.40
PSMB5 P28074 2/20 0.40
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP1A2 P05177 2/20 0.39
MAPT P10636 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37

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
SCHEMBL24153762 0.98 PTGS2 (0.42) PTGS2GSTP1PSMB5KDM4EALDH1A1
SCHEMBL17359994 0.93 PTGS2 (0.39) PTGS2GSTP1PSMB5KDM4EALDH1A1
SCHEMBL22255609 0.93 PTGS2 (0.50) PTGS2GSTP1PSMB5KDM4EALDH1A1
SCHEMBL21203443 0.93 PTGS2 (0.50) PTGS2GSTP1PSMB5KDM4EALDH1A1
SCHEMBL20313403 0.91 GSTP1 (0.47) PTGS2GSTP1KDM4EALDH1A1CYP1A2
SCHEMBL29674005 0.91 PTGS2 (0.40) PTGS2GSTP1PSMB5KDM4EALDH1A1
SCHEMBL384091 0.91 PTGS2 (0.40) PTGS2GSTP1PSMB5KDM4EALDH1A1
SCHEMBL3692438 0.91 PTGS2 (0.40) PTGS2GSTP1PSMB5KDM4EALDH1A1
SCHEMBL17811587 0.91 ESR1 (0.39) PTGS2GSTP1PSMB5KDM4EALDH1A1
SCHEMBL20313415 0.91 GSTP1 (0.50) PTGS2GSTP1KDM4EALDH1A1CYP1A2

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-20200303647-A1 AMINE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2020-09-24 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-20200303647-A1 AMINE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SLC1A2, SLC18A2, TMEM109 PTGS2 3344/4885GSTP1 3964/4885PSMB5 4054/4885

“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.