SCHEMBL7067360

SCHEMBL7067360

O=C(O)c1cncc(O)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SELL P14151 2/20 0.50
SELP P16109 2/20 0.50
ALDH1A1 P00352 6/20 0.43
CA12 O43570 4/20 0.43
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
CA7 P43166 4/20 0.43
CA9 Q16790 4/20 0.43
CA14 Q9ULX7 4/20 0.43
TSHR P16473 1/20 0.43
CYP1A2 P05177 1/20 0.42
KDM4E B2RXH2 5/20 0.41
HPGD P15428 2/20 0.41
CA4 P22748 2/20 0.41
CA6 P23280 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HMGB1 P09429 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
MAPT P10636 4/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL20512962 0.90 SELL (0.42) SELLSELPALDH1A1CA12CA1
SCHEMBL14818585 0.83 HPGD (0.39) SELLSELPALDH1A1CYP1A2KDM4E
SCHEMBL28297856 0.81 KDM4E (0.41) SELLSELPALDH1A1CA12CA1
SCHEMBL28440693 0.81 AKR1C2 (0.52) SELLSELPALDH1A1CA1CA2
SCHEMBL593852 0.81 KMT2A (0.39) SELLSELPALDH1A1CA12CA1
SCHEMBL31118132 0.79 HCAR2 (0.41) ALDH1A1CA12CA1CA2CA7
SCHEMBL31614663 0.79 KDM4E (0.50) SELLSELPALDH1A1KDM4EHPGD
SCHEMBL31538840 0.79 KDM4E (0.53) ALDH1A1KDM4EHPGDMAPTCYP3A4
SCHEMBL15334246 0.79 AKR1C3 (0.50) SELLSELPALDH1A1CA12CA1
SCHEMBL9311927 0.79 KDM4E (0.50) SELLSELPALDH1A1KDM4EHPGD

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-20030018012-A1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation RICKS MICHAEL J (US) 2003-01-23 US disclosed
EP-1196388-A2 FUNGICIDAL HETEROCYCLIC AROMATIC AMIDES AND THEIR COMPOSITIONS, METHODS OF USE AND PREPARATION Dow AgroSciences LLC (US) 2002-04-17 EP disclosed
WO-2001005769-A2 FUNGICIDAL HETEROCYCLIC AROMATIC AMIDES AND THEIR COMPOSITIONS, METHODS OF USE AND PREPARATION DOW AGROSCIENCES LLC (US) 2001-01-25 WO disclosed
US-4346076-A Bis-tetrazoylmethyl substituted cephalosporin antibiotics ELI LILLY AND COMPANY (US) 1982-08-24 US disclosed
EP-0048165-A1 Bis-tetrazolemethyl substituted beta-lactam antibiotics, their preparation and pharmaceutical formulations containing them ELI LILLY AND COMPANY (US) 1982-03-24 EP disclosed
EP-0048169-A2 Bis-tetrazoylmethyl substituted cephalosporin antibiotics, their preparation and pharmaceutical formulations containing them ELI LILLY AND COMPANY (US) 1982-03-24 EP disclosed
US-4304774-A Bis-tetrazolmethyl substituted β-lactam antibiotics ELI LILLY AND COMPANY (US) 1981-12-08 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 (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-20030018012-A1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation CYP4X1, CYP1A1, NAT1 SELL 4829/4885SELP 4743/4885ALDH1A1 195/4885

“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.