SCHEMBL3662968

SCHEMBL3662968

O=C(O)/C=C\c1ccc(C(F)(F)F)nc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 1/20 0.58
TRPV1 Q8NER1 1/20 0.51
HCAR2 Q8TDS4 2/20 0.46
CA12 O43570 2/20 0.46
AKR1B10 O60218 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA3 P07451 2/20 0.46
AKR1B1 P15121 2/20 0.46
CA4 P22748 2/20 0.46
CA6 P23280 2/20 0.46
DPP4 P27487 2/20 0.46
CA5A P35218 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
CA5B Q9Y2D0 2/20 0.46
ESR1 P03372 1/20 0.46
PKM P14618 1/20 0.46
TYR P14679 1/20 0.46

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
SCHEMBL454424 1.00 P4HTM (0.58) P4HTMTRPV1HCAR2CA12AKR1B10
SCHEMBL30025274 1.00 P4HTM (0.58) P4HTMTRPV1HCAR2CA12AKR1B10
SCHEMBL454425 1.00 P4HTM (0.58) P4HTMTRPV1HCAR2CA12AKR1B10
Hydrochloric Acid SCHEMBL27833446 0.98 P4HTM (0.57) P4HTMTRPV1HCAR2CA12AKR1B10
SCHEMBL1124342 0.85 TRPV1 (0.50) P4HTMTRPV1HDAC3HDAC4HDAC1
SCHEMBL2401668 0.85 TRPV1 (0.50) P4HTMTRPV1HDAC3HDAC1HDAC2
SCHEMBL2401676 0.85 TRPV1 (0.50) P4HTMTRPV1HDAC3HDAC1HDAC2
SCHEMBL1124462 0.85 TRPV1 (0.50) P4HTMTRPV1CA12CA1CA2
SCHEMBL1124343 0.85 TRPV1 (0.50) P4HTMTRPV1HDAC3HDAC4HDAC1
SCHEMBL1124460 0.85 TRPV1 (0.50) P4HTMTRPV1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3704094-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY Calico Life Sciences LLC (US) 2020-09-09 EP disclosed
US-9181240-B2 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. (US) 2015-11-10 US disclosed
US-9096591-B2 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. (US) 2015-08-04 US disclosed
US-20150182509-A1 TETRACYCLIC COMPOUNDS MEDIVATION TECHNOLOGIES, INC. 2015-07-02 US disclosed
US-9034880-B2 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. (US) 2015-05-19 US disclosed
US-20140194414-A1 TETRACYCLIC COMPOUNDS MEDIVATION TECHNOLOGIES, INC. (US) 2014-07-10 US disclosed
US-20130190304-A1 TETRACYCLIC COMPOUNDS MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20130131054-A1 TETRACYCLIC COMPOUNDS MEDIVATION TECHNOLOGIES, INC. (US) 2013-05-23 US disclosed
US-8338408-B2 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. (US) 2012-12-25 US disclosed
EP-2217598-A1 NEW TETRACYCLIC COMPOUNDS Medivation Technologies, Inc. (US) 2010-08-18 EP disclosed
US-20090239854-A1 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. 2009-09-24 US disclosed
WO-2009055828-A1 NEW TETRACYCLIC COMPOUNDS MEDIVATION TECHNOLOGIES, INC. (US) 2009-04-30 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 (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-20150182509-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A P4HTM 1005/4885TRPV1 124/4885HCAR2 41/4885
US-20130131054-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A P4HTM 1005/4885TRPV1 124/4885HCAR2 41/4885
US-20130190304-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A P4HTM 1005/4885TRPV1 124/4885HCAR2 41/4885
US-20090239854-A1 Tetracyclic compounds HTR2C, HTR3D, HTR5A P4HTM 1005/4885TRPV1 124/4885HCAR2 41/4885
US-20140194414-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A P4HTM 1005/4885TRPV1 124/4885HCAR2 41/4885

“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.