SCHEMBL19590927

SCHEMBL19590927

C1=C(c2cccc3cccc(C4=Cc5ccccc5C4)c23)Cc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.56
ALDH1A1 P00352 5/20 0.45
HSD17B10 Q99714 4/20 0.45
TSHR P16473 3/20 0.45
MAPK1 P28482 3/20 0.45
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
HPGD P15428 3/20 0.43
KDM4E B2RXH2 2/20 0.43
GPR84 Q9NQS5 2/20 0.43
CYP3A4 P08684 2/20 0.42
CASP1 P29466 2/20 0.41
CASP7 P55210 2/20 0.41
TP53 P04637 1/20 0.41
HIF1A Q16665 1/20 0.41
CES2 O00748 1/20 0.38
BCHE P06276 1/20 0.38
CES1 P23141 1/20 0.38

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
SCHEMBL7180542 0.84 PTGS2 (0.67) PTGS2CYP11B1CYP11B2GPR84BCHE
SCHEMBL29672905 0.84 PTGS2 (0.67) PTGS2CYP11B1CYP11B2GPR84BCHE
SCHEMBL6287678 0.84 PTGS2 (0.54) PTGS2ALDH1A1HSD17B10TSHRCYP11B1
SCHEMBL29606538 0.82 PTGS2 (0.65) PTGS2CYP11B1CYP11B2GPR84BCHE
SCHEMBL7172726 0.82 PTGS2 (0.65) PTGS2CYP11B1CYP11B2GPR84BCHE
Hydrochloric Acid SCHEMBL29672906 0.80 PTGS2 (0.62) PTGS2CYP11B1CYP11B2GPR84DRD2
Hydrochloric Acid SCHEMBL17835934 0.80 PTGS2 (0.62) PTGS2CYP11B1CYP11B2GPR84DRD2
SCHEMBL28324752 0.80 PTGS2 (0.43) PTGS2ALDH1A1HSD17B10TSHRMAPK1
Hydrochloric Acid SCHEMBL16516153 0.79 PTGS2 (0.61) PTGS2CYP11B1CYP11B2GPR84DRD2
Hydrochloric Acid SCHEMBL30769782 0.79 PTGS2 (0.61) PTGS2CYP11B1CYP11B2GPR84DRD2

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-20180044450-A1 BRIDGED METALLOCENE COMPLEX FOR OLEFIN POLYMERIZATION SAUDI BASIC IND CORP (SA) 2018-02-15 US disclosed
US-9815917-B2 Bridged metallocene complex for olefin polymerization SAUDI BASIC INDUSTRIES CORPORATION (SA) 2017-11-14 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-20180044450-A1 BRIDGED METALLOCENE COMPLEX FOR OLEFIN POLYMERIZATION ZYX, CPNE4, ZC3HAV1L PTGS2 1759/4885ALDH1A1 3557/4885HSD17B10 2145/4885

“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.