SCHEMBL9749694

SCHEMBL9749694

CCc1cc(-c2cc(C)c(O)c(CC)c2)cc(C)c1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 1/20 0.45
SHBG P04278 1/20 0.42
ESR1 P03372 2/20 0.41
ESR2 Q92731 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
ALOX5 P09917 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
MAOA P21397 1/20 0.37
HSD17B1 P14061 2/20 0.36
CYP3A4 P08684 2/20 0.36
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL31028130 1.00 CA1 (0.59) CA1CA2CYP1A2CYP2C9CYP2C19
SCHEMBL30250589 1.00 CA1 (0.59) CA1CA2CYP1A2CYP2C9CYP2C19
SCHEMBL1023493 0.88 PTPN1 (0.49) CA1CA2CYP1A2CYP2C9CYP2C19
SCHEMBL5023947 0.85 GABRA1 (0.55) CA1CA2CYP1A2CYP2C9ESR1
SCHEMBL11612512 0.82 CA1 (0.54) CA1CA2CYP1A2CYP2C9CYP2C19
SCHEMBL1021767 0.81 ALDH1A1 (0.48) CA1CA2CYP2C9CYP2C19SHBG
SCHEMBL70083 0.81 CYP3A4 (0.42) CA1CA2CYP1A2CYP2C9SHBG
SCHEMBL30576381 0.81 ALDH1A1 (0.48) CA1CA2CYP2C9CYP2C19SHBG
SCHEMBL27647441 0.80 ESR1 (0.44) CA1CA2CYP1A2CYP2C9SHBG
SCHEMBL31092543 0.79 SHBG (0.55) CA1CA2SHBGESR1ESR2

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-20230149323-A1 INHIBITORS OF THE INTERACTION OF THE UPAR/FPRS RECEPTORS ORPHA BIOTECH S.R.L. (IT) 2023-05-18 US claimed
US-20230149323-A1 INHIBITORS OF THE INTERACTION OF THE UPAR/FPRS RECEPTORS ORPHA BIOTECH S.R.L. (IT) 2023-05-18 US disclosed
US-5171891-A Using sulfur containing oxy acids and their salts ALLIED-SIGNAL INC. (US) 1992-12-15 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-20230149323-A1 INHIBITORS OF THE INTERACTION OF THE UPAR/FPRS RECEPTORS FPR3, FPR1, PLAUR CA1 4645/4885CA2 4714/4885CYP1A2 4197/4885

“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.