SCHEMBL3081519

SCHEMBL3081519

c1ccc(CP2CCCCC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.38
CALM1 P0DP23 1/20 0.38
EPHX1 P07099 1/20 0.36
TSHR P16473 2/20 0.35
IDO1 P14902 1/20 0.35
TP53 P04637 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
TRPA1 O75762 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SLC6A3 Q01959 1/20 0.34

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
SCHEMBL3078658 0.98 CALM1 (0.39) SIGMAR1CALM1EPHX1TSHRIDO1
SCHEMBL23286140 0.87 CALM1 (0.43) SIGMAR1CALM1EPHX1TSHRIDO1
SCHEMBL3081821 0.77 CALM1 (0.35) SIGMAR1CALM1EPHX1TSHRIDO1
SCHEMBL30237031 0.71 SIGMAR1 (0.44) SIGMAR1IDO1SLC6A3
SCHEMBL4423634 0.70
Cyclooctane SCHEMBL18187569 0.68 SIGMAR1 (0.58) SIGMAR1LOXL2ALDH1A1SLC6A3
Ethylbenzene SCHEMBL7902673 0.64 TP53 (0.82) SIGMAR1CALM1TSHRIDO1TP53
Ethylbenzene SCHEMBL28826931 0.64 TP53 (0.82) SIGMAR1CALM1TSHRIDO1TP53
Ethylbenzene SCHEMBL11052893 0.64 TP53 (0.82) SIGMAR1CALM1TSHRIDO1TP53
Benzyl Alcohol SCHEMBL11329661 0.64 TSHR (0.82) SIGMAR1CALM1TSHRIDO1TP53

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240076305-A1 Phosphonium Ion Channel Blockers and Methods for Use NOCION THERAPEUTICS INC (US) 2024-03-07 US disclosed
US-11618761-B2 Phosphonium ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2023-04-04 US disclosed
EP-4054336-A1 PHOSPHONIUM ION CHANNEL BLOCKERS AND METHODS FOR USE Nocion Therapeutics, Inc. (US) 2022-09-14 EP disclosed
US-20210130380-A1 PHOSPHONIUM ION CHANNEL BLOCKERS AND METHODS FOR USE Nocion Therapeutics, Inc. 2021-05-06 US disclosed
US-7833331-B2 Non-toxic corrosion-protection pigments based on cobalt UNIVERSITY OF DAYTON (US) 2010-11-16 US disclosed
US-7789958-B2 Non-toxic corrosion-protection pigments based on manganese UNIVERSITY OF DAYTON (US) 2010-09-07 US disclosed
US-20090163628-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON COBALT STURGILL JEFFREY ALLEN 2009-06-25 US disclosed
US-7537663-B2 Corrosion-inhibiting coating UNIVERSITY OF DAYTON (US) 2009-05-26 US disclosed
US-7422793-B2 Non-toxic corrosion-protection rinses and seals based on rare earth elements UNIVERSITY OF DAYTON (US) 2008-09-09 US disclosed
US-7407711-B2 Non-toxic corrosion-protection conversion coats based on rare earth elements UNIVERSITY OF DAYTON (US) 2008-08-05 US disclosed
US-20040020568-A1 Non-toxic corrosion-protection conversion coats based on rare earth elements DAYTON, UNIVERSITY OF 2004-02-05 US disclosed
WO-2004009869-A2 CORROSION-INHIBITING COATING FOR METAL SURFACES UNIVERSITY OF DAYTON (US) 2004-01-29 WO disclosed
US-20040016363-A1 CORROSION-INHIBITING COATING VENTURE LENDING & LEASING, IV, INC. 2004-01-29 US disclosed
US-20040016910-A1 Non-toxic corrosion-protection rinses and seals based on rare earth elements DAYTON, UNIVERSITY OF 2004-01-29 US disclosed
US-20040011252-A1 Non-toxic corrosion-protection pigments based on manganese UNIVERSITY OF DAYTON 2004-01-22 US disclosed
US-20030234063-A1 Non-toxic corrosion-protection conversion coats based on cobalt DAYTON, UNIVERSITY OF 2003-12-25 US disclosed
US-20030230363-A1 Non-toxic corrosion-protection rinses and seals based on cobalt UNIVERSITY OF DAYTON 2003-12-18 US disclosed
WO-2003060192-A1 NON-TOXIC CORROSION-PROTECTION RINSES AND SEALS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2003060191-A2 NON-TOXIC CORROSION-PROTECTION CONVERSION COATINGES ABSED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2003060019-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 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 (3 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-20210130380-A1 PHOSPHONIUM ION CHANNEL BLOCKERS AND METHODS FOR USE TRPV1, TRPV5, TRPA1 SIGMAR1 916/4885CALM1 698/4885EPHX1 824/4885
US-11618761-B2 Phosphonium ion channel blockers and methods for use TRPV1, TRPV5, TRPA1 SIGMAR1 916/4885CALM1 698/4885EPHX1 824/4885
US-20240076305-A1 Phosphonium Ion Channel Blockers and Methods for Use TRPV1, TRPV5, TRPA1 SIGMAR1 916/4885CALM1 698/4885EPHX1 824/4885

“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.