SCHEMBL22493898

SCHEMBL22493898

COc1ccc(P(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1.COc1cccc(OC)c1P(c1c(OC)cccc1OC)c1c(OC)cccc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
CA12 O43570 3/20 0.42
CA7 P43166 3/20 0.42
CA9 Q16790 3/20 0.42
CA14 Q9ULX7 3/20 0.42
CYP1A2 P05177 4/20 0.42
CYP1A1 P04798 3/20 0.42
CYP1B1 Q16678 3/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2E1 P05181 1/20 0.42
CYP2C8 P10632 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2A6 P11509 1/20 0.42
CYP4B1 P13584 1/20 0.42
CYP2B6 P20813 1/20 0.42
CYP3A5 P20815 1/20 0.42
CYP2A7 P20853 1/20 0.42

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
SCHEMBL10699599 0.94 CA1 (0.44) CA1CA2CA12CA7CA9
SCHEMBL148067 0.83 CA1 (0.55) CA1CA2CA12CA7CA9
SCHEMBL15658842 0.81 CA1 (0.65) CA1CA2CA12CA7CA9
SCHEMBL50047 0.81 CA1 (0.65) CA1CA2CA12CA7CA9
SCHEMBL31328597 0.79 CA1 (0.61) CA1CA2CA12CA7CA9
SCHEMBL31378153 0.79 CA1 (0.61) CA1CA2CA12CA7CA9
Iodide SCHEMBL29883618 0.79 CA1 (0.61) CA1CA2CA12CA7CA9
Bromide SCHEMBL28409206 0.79 CA1 (0.61) CA1CA2CA12CA7CA9
SCHEMBL8849515 0.79 CA1 (0.61) CA1CA2CA12CA7CA9
SCHEMBL5713323 0.79 CA1 (0.61) CA1CA2CA12CA7CA9

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
EP-3732175-A1 A CATALYST COMPOSITION FOR A PRODUCING PROCESS OF AN UNSATURATED CARBOXYLIC ACID SALT AND ITS DERIVATIVES FROM CARBON DIOXIDE AND OLEFIN PTT Global Chemical Public Company Limited (TH) 2020-11-04 EP claimed
US-20200317598-A1 A CATALYST COMPOSITION FOR A PRODUCING PROCESS OF AN UNSATURATED CARBOXYLIC ACID SALT AND ITS DERIVATIVES FROM CARBON DIOXIDE AND OLEFIN PTT GLOBAL CHEMICAL PUBLIC COMPANY LIMITED (TH) 2020-10-08 US claimed

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-20200317598-A1 A CATALYST COMPOSITION FOR A PRODUCING PROCESS OF AN UNSATURATED CARBOXYLIC ACID SALT AND ITS DERIVATIVES FROM CARBON DIOXIDE AND OLEFIN DDT, BRPF3, PHF6 CA1 68/4885CA2 9/4885CA12 129/4885

“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.