SCHEMBL18364478

SCHEMBL18364478

C=C(O)c1cccc(C(=O)O)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA6 P23280 1/20 0.58
CA9 Q16790 1/20 0.58
KMO O15229 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
HPGD P15428 1/20 0.54
HSD17B10 Q99714 1/20 0.54
DAO P14920 1/20 0.52
TSHR P16473 1/20 0.52
NAPRT Q6XQN6 1/20 0.52
UNG P13051 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.50
ATM Q13315 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
FOLH1 Q04609 1/20 0.50
AKR1C3 P42330 1/20 0.50
TP53 P04637 1/20 0.48

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
Isophthalic Acid SCHEMBL102783 0.87 CA12 (0.65) CA12CA1CA2CA6CA9
Isophthalic Acid SCHEMBL209121 0.87 CA12 (0.65) CA12CA1CA2CA6CA9
Isophthalic Acid SCHEMBL28397170 0.87 CA12 (0.65) CA12CA1CA2CA6CA9
Isophthalic Acid SCHEMBL28756611 0.87 CA12 (0.71) CA12CA1CA2CA6CA9
Isophthalic Acid SCHEMBL20500514 0.87 CA12 (0.71) CA12CA1CA2CA6CA9
Isophthalic Acid SCHEMBL28462260 0.87 CA12 (0.71) CA12CA1CA2CA6CA9
Isophthalic Acid SCHEMBL22462 0.87 CA12 (0.71) CA12CA1CA2CA6CA9
Isophthalic Acid SCHEMBL147366 0.87 CA12 (0.71) CA12CA1CA2CA6CA9
Isophthalic Acid SCHEMBL2512374 0.87 CA12 (0.71) CA12CA1CA2CA6CA9
SCHEMBL9715889 0.86 CA12 (0.58) CA12CA1CA2CA6CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180217498-A1 PHOTOACTIVABLE NITROGEN BASES BASF SE (DE) 2018-08-02 US disclosed
US-20170008915-A1 ACID, SOLVENT, AND THERMAL RESISTANT METAL-ORGANIC FRAMEWORKS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-01-12 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-20170008915-A1 ACID, SOLVENT, AND THERMAL RESISTANT METAL-ORGANIC FRAMEWORKS HAO2, ASF1A, FTO CA12 14/4885CA1 16/4885CA2 49/4885
US-20180217498-A1 PHOTOACTIVABLE NITROGEN BASES CBR1, NR0B1, NR0B2 CA12 511/4885CA1 1550/4885CA2 1283/4885

“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.