SCHEMBL6764765

SCHEMBL6764765

Cc1cnoc1-c1ccccc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.45
HPGD P15428 4/20 0.45
NFKB1 P19838 3/20 0.45
RAB9A P51151 3/20 0.45
NFKB2 Q00653 3/20 0.45
RELA Q04206 3/20 0.45
CYP2C9 P11712 3/20 0.45
CYP2C19 P33261 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 2/20 0.45
NPC1 O15118 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
ATM Q13315 1/20 0.45
USP2 O75604 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
CASP3 P42574 2/20 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
SCHEMBL21097057 0.82 NPC1 (0.45) SMN1; SMN2HPGDNFKB1RAB9ANFKB2
SCHEMBL11540436 0.79 IDO1 (0.46) SMN1; SMN2HPGDNFKB1RAB9ANFKB2
SCHEMBL11538228 0.76 EPHX2 (0.51) SMN1; SMN2HPGDCYP2C9CYP2C19KMT2A
SCHEMBL19367745 0.76 KMT2A (0.44) SMN1; SMN2HPGDNFKB1RAB9ANFKB2
SCHEMBL11535208 0.75 USP2 (0.39) SMN1; SMN2HPGDNFKB1RAB9ANFKB2
SCHEMBL6727622 0.74 ABL1 (0.46) SMN1; SMN2HPGDNFKB1RAB9ANFKB2
SCHEMBL4448263 0.73 HPGD (0.50) SMN1; SMN2HPGDNFKB1RAB9ANFKB2
SCHEMBL10166453 0.72 CYP19A1 (0.53) SMN1; SMN2HPGDRAB9ACYP2C9CYP2C19
SCHEMBL23590408 0.69 CYP19A1 (0.54) SMN1; SMN2NFKB1RAB9ANFKB2RELA
SCHEMBL26104342 0.69 CYP17A1 (0.48) SMN1; SMN2HPGDNFKB1RAB9ANFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4153707-A Fungicidal isoxazolyl phenols and method of use THE UPJOHN COMPANY (US) 1979-05-08 US claimed
US-20040242633-A1 Beta3 adrenergic agonists EVERS BRITTA (DE) 2004-12-02 US disclosed
US-6730792-B2 PYRIDINE DERIVATIVES; ANTIDIABETIC, ANTICHOLESTEROL, AND ANTIINFLAMMATORY AGENTS; DECYCLIZATION, DEETHERIFICATION; OBESITY; RAISES HIGH DENSITY LIPOPROTEINS; LOWERS TRIGLYCERIDE LEVELS ELI LILLY AND COMPANY 2004-05-04 US disclosed
US-20030191156-A1 Beta3 adrenergic agonists JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2003-10-09 US disclosed
CN-1441800-A β3Adrenergic agonists LILLY CO ELI (US) 2003-09-10 CN disclosed
EP-1303509-A1 BETA3 ADRENERGIC AGONISTS ELI LILLY AND COMPANY (US) 2003-04-23 EP disclosed
WO-2002006276-A1 BETA3 ADRENERGIC AGONISTS ELI LILLY AND COMPANY (US) 2002-01-24 WO disclosed
US-4153707-A Fungicidal isoxazolyl phenols and method of use THE UPJOHN COMPANY (US) 1979-05-08 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 (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-20030191156-A1 Beta3 adrenergic agonists ADRB3, ADRB1, ADRB2 SMN1; SMN2 2177/4885HPGD 2008/4885NFKB1 3322/4885
US-20040242633-A1 Beta3 adrenergic agonists ADRB3, ADRB1, ADRB2 SMN1; SMN2 1792/4885HPGD 2217/4885NFKB1 3234/4885

“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.