Sugi Predict

Sugi Predict / Compounds / SCHEMBL5656111

SCHEMBL5656111

SCHEMBL5656111

CC(CO)c1cccc2c1ccc1ccccc12

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HPRT1 P00492 3/20 0.48
▸ ALDH1A1 P00352 3/20 0.41
▸ CYP2A6 P11509 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ CYP1A2 P05177 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ ACE2 Q9BYF1 1/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ ACP3 P15309 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 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
SCHEMBL3412393 0.89 CYP1A2 (0.50) ALDH1A1CYP1A2CYP2C19CYP2C9ACE2
SCHEMBL22288361 0.84 HPRT1 (0.50) HPRT1ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL22288221 0.81 HPRT1 (0.47) HPRT1ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL6055103 0.80 HPRT1 (0.54) HPRT1ALDH1A1CYP2A6TSHRHSD17B10
Methyl Alcohol SCHEMBL28296463 0.80 HPRT1 (0.54) HPRT1ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL22288225 0.80 HPRT1 (0.58) HPRT1ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL22261572 0.78 ABCB11 (0.49) CYP1A2ACE2
SCHEMBL6055122 0.77 HPRT1 (0.50) HPRT1ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL9296413 0.77 HPRT1 (0.54) HPRT1ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL11797328 0.77 HPRT1 (0.54) HPRT1ALDH1A1CYP2A6TSHRHSD17B10

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166593-B2 Glucocorticoid receptor modulators PFIZER, INC. (US) 2007-01-23 — — US disclosed
US-20040176595-A1 Glucocorticoid receptor modulators PFIZER, INC. 2004-09-09 — — US disclosed
US-6699893-B2 DIETETICS; ANTIDIABETIC AGENTS; ANTIINFLAMMATROY AGENTS PFIZER INC 2004-03-02 — — US disclosed
US-20020147336-A1 Glucocorticoid receptor modulators DOW ROBERT L (US) 2002-10-10 — — US disclosed
US-6380223-B1 FOR THERAPY OF DISEASES, SUCH AS OBESITY, DIABETES, INFLAMMATION PFIZER INC. 2002-04-30 — — US disclosed
EP-1175383-A1 GLUCOCORTICOID RECEPTOR MODULATORS Pfizer Products Inc. (US) 2002-01-30 — — EP disclosed
WO-2000066522-A1 GLUCOCORTICOID RECEPTOR MODULATORS PFIZER PRODUCTS INC. (US) 2000-11-09 — — WO 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-20040176595-A1 Glucocorticoid receptor modulators NR3C1, NR3C2, MC2R HPRT1 3997/4885ALDH1A1 2259/4885CYP2A6 552/4885
US-20020147336-A1 Glucocorticoid receptor modulators NR3C1, NR3C2, MC2R HPRT1 3946/4885ALDH1A1 2234/4885CYP2A6 552/4885

“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.