SCHEMBL18280405

SCHEMBL18280405

COc1cc(C(=O)O)ccc1CCl

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.62
CA1 P00915 2/20 0.62
CA2 P00918 2/20 0.62
CA4 P22748 2/20 0.62
CA6 P23280 2/20 0.62
CA7 P43166 2/20 0.62
CA9 Q16790 2/20 0.62
CA14 Q9ULX7 2/20 0.62
TPMT P51580 1/20 0.62
HTT P42858 2/20 0.59
TSHR P16473 4/20 0.57
LMNA P02545 2/20 0.53
RAB9A P51151 2/20 0.53
MAPK1 P28482 1/20 0.53
TTR P02766 2/20 0.51
MRGPRX4 Q96LA9 1/20 0.51
PKM P14618 2/20 0.50
CA3 P07451 1/20 0.50
CA5A P35218 1/20 0.50
CA5B Q9Y2D0 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
SCHEMBL17161635 0.86 CA12 (0.62) CA12CA1CA2CA4CA6
SCHEMBL2592749 0.86 CA12 (0.67) CA12CA1CA2CA4CA6
SCHEMBL6859656 0.86 CA12 (0.67) CA12CA1CA2CA4CA6
SCHEMBL2985242 0.85 MAPT (0.57) CA12CA1CA2CA7CA9
SCHEMBL2424457 0.84 CA12 (0.65) CA12CA1CA2CA4CA6
SCHEMBL9516446 0.83 CA12 (0.62) CA12CA1CA2CA4CA6
SCHEMBL2784039 0.83 CA12 (0.62) CA12CA1CA2CA4CA6
SCHEMBL1251597 0.83 CA12 (0.62) CA12CA1CA2CA4CA6
SCHEMBL9428447 0.83 CA12 (0.62) CA12CA1CA2CA4CA6
SCHEMBL30143532 0.83 CA12 (0.62) CA12CA1CA2CA4CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3303415-B1 VISIBLE-LIGHT PHOTOINITIATORS AND USES THEREOF ALCON INC (CH) 2022-12-28 EP disclosed
US-10324311-B2 Visible-light photoinitiators and uses thereof NOVARTIS AG (CH) 2019-06-18 US disclosed
EP-3303415-A1 VISIBLE-LIGHT PHOTOINITIATORS AND USES THEREOF Novartis AG (CH) 2018-04-11 EP disclosed
US-20160357031-A1 VISIBLE-LIGHT PHOTOINITIATORS AND USES THEREOF ALCON INC. (CH) 2016-12-08 US disclosed
WO-2016193912-A1 VISIBLE-LIGHT PHOTOINITIATORS AND USES THEREOF NOVARTIS AG (CH) 2016-12-08 WO 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-10324311-B2 Visible-light photoinitiators and uses thereof SIRT5, IK, IGLV6-57 CA12 2901/4885CA1 2225/4885CA2 2281/4885
US-20160357031-A1 VISIBLE-LIGHT PHOTOINITIATORS AND USES THEREOF SIRT5, IK, IGLV6-57 CA12 2901/4885CA1 2225/4885CA2 2281/4885

“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.