SCHEMBL5656105

SCHEMBL5656105

OCCCc1ccc2c(ccc3ccccc32)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.55
CYP2D6 P10635 2/20 0.55
CYP2C19 P33261 2/20 0.55
AKR1B1 P15121 1/20 0.47
ALDH1A1 P00352 4/20 0.47
HSD17B10 Q99714 3/20 0.47
HIF1A Q16665 2/20 0.47
CYP1B1 Q16678 1/20 0.47
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPRT1 P00492 1/20 0.45
SIGMAR1 Q99720 2/20 0.45
TSHR P16473 2/20 0.43
CYP2A6 P11509 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
FAAH O00519 1/20 0.41

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
SCHEMBL2310621 0.89 ALDH1A1 (0.50) CYP1A2CYP2D6CYP2C19AKR1B1ALDH1A1
SCHEMBL2310522 0.87 HPRT1 (0.52) CYP1A2CYP2D6CYP2C19AKR1B1ALDH1A1
SCHEMBL2314158 0.85 CYP1A2 (0.52) CYP1A2CYP2D6CYP2C19AKR1B1ALDH1A1
SCHEMBL31265269 0.85 CYP1A2 (0.62) CYP1A2SIGMAR1CYP2A6HDAC1HDAC8
SCHEMBL81147 0.85 CYP1A2 (0.62) CYP1A2SIGMAR1CYP2A6HDAC1HDAC8
SCHEMBL22288362 0.82 CYP1A2 (0.51) CYP1A2CYP2D6CYP2C19AKR1B1ALDH1A1
SCHEMBL5660266 0.81 ALDH1A1 (0.54) CYP1A2CYP2D6CYP2C19AKR1B1ALDH1A1
SCHEMBL22288223 0.81 CYP1A2 (0.50) CYP1A2CYP2D6CYP2C19ALDH1A1HSD17B10
SCHEMBL9670577 0.80 CYP1A2 (0.50) CYP1A2ALDH1A1SIGMAR1MAPTHDAC1
SCHEMBL2312897 0.80 CYP1A2 (0.57) CYP1A2CYP2D6CYP2C19AKR1B1ALDH1A1

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 CYP1A2 444/4885CYP2D6 802/4885CYP2C19 526/4885
US-20020147336-A1 Glucocorticoid receptor modulators NR3C1, NR3C2, MC2R CYP1A2 447/4885CYP2D6 795/4885CYP2C19 534/4885

“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.