SCHEMBL12372145

SCHEMBL12372145

O=C(OP)c1ccc(O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.60
CA2 P00918 5/20 0.60
CA12 O43570 4/20 0.60
CA7 P43166 4/20 0.60
CA9 Q16790 4/20 0.60
CA14 Q9ULX7 4/20 0.60
ESR1 P03372 5/20 0.54
ESR2 Q92731 3/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
LMNA P02545 4/20 0.52
MAPT P10636 1/20 0.52
PKM P14618 1/20 0.52
HPGD P15428 1/20 0.52
HTT P42858 1/20 0.52
TSHR P16473 2/20 0.50
ALDH1A1 P00352 1/20 0.50
CHRM1 P11229 1/20 0.50
SLC6A2 P23975 1/20 0.50
KDR P35968 1/20 0.50

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
SCHEMBL5669277 0.79 CA1 (0.65) CA1CA2CA12CA7CA9
SCHEMBL8486618 0.79 CA1 (0.65) CA1CA2CA12CA7CA9
SCHEMBL9768570 0.78 TSHR (0.57) CA1CA2CA12CA7CA9
SCHEMBL25549402 0.78 LMNA (0.55) MEN1KMT2ALMNAMAPTPKM
SCHEMBL247945 0.77 CA1 (0.62) CA1CA2CA12CA7CA9
SCHEMBL3795159 0.77 LMNA (0.64) CA1CA2CA12CA7CA9
SCHEMBL27294357 0.75 LMNA (0.61) CA1CA2CA12CA7CA9
Methylparaben SCHEMBL4440 0.75 CA1 (1.00) CA1CA2CA12CA7CA9
SCHEMBL8315092 0.75 CA1 (0.60) CA1CA2CA12CA7CA9
SCHEMBL3825170 0.75 CA1 (0.60) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11370771-B2 Inhibitors of TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-06-28 US disclosed
US-20210053935-A1 INHIBITORS OF TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-02-25 US disclosed
US-8288389-B2 Piperazine derivative having affinity for the histamine H3 receptor GLAXO GROUP LIMITED (GB) 2012-10-16 US disclosed
US-20110190274-A1 SALT OF, AND PROCESSES FOR THE PREPARATION OF, 1-ISOPROPYL-4-HEXAHYDRO-1H-1,4-DIAZEPINE GLAXO GROUP LIMITED 2011-08-04 US disclosed
US-20100204242-A1 Piperazine Derivative Having Affinity for the Histamine H3 Receptor GLAXO GROUP LIMITED 2010-08-12 US disclosed
US-20090170869-A1 PIPERAZINE DERIVATIVE HAVING AFFINITY FOR THE HISTAMINE H3 RECEPTOR GLAXO GROUP LIMITED (GB) 2009-07-02 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 (5 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-20090170869-A1 PIPERAZINE DERIVATIVE HAVING AFFINITY FOR THE HISTAMINE H3 RECEPTOR HRH3, HRH4, HRH1 CA1 1206/4885CA2 1183/4885CA12 3959/4885
US-20210053935-A1 INHIBITORS OF TRPC6 TRPC6, TRPC1, TRPC4 CA1 3785/4885CA2 265/4885CA12 4530/4885
US-20100204242-A1 Piperazine Derivative Having Affinity for the Histamine H3 Receptor HRH3, HRH4, HRH1 CA1 1206/4885CA2 1183/4885CA12 3959/4885
US-20110190274-A1 SALT OF, AND PROCESSES FOR THE PREPARATION OF, 1-ISOPROPYL-4-HEXAHYDRO-1H-1,4-DIAZEPINE GRIK4, GRIK1, IPO4 CA1 20/4885CA2 239/4885CA12 1183/4885
US-11370771-B2 Inhibitors of TRPC6 TRPC6, TRPC1, TRPC4 CA1 3785/4885CA2 265/4885CA12 4530/4885

“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.