SCHEMBL23317409

SCHEMBL23317409

CCC(C(=O)Nc1c(C)cc(OC)cc1C)[PH](CC)(CC)CC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 3/20 0.38
CYP3A4 P08684 3/20 0.38
PTPRB P23467 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
S1PR2 O95136 1/20 0.36
S1PR4 O95977 1/20 0.36
FFAR4 Q5NUL3 1/20 0.35
PKM P14618 1/20 0.34
NLRP3 Q96P20 1/20 0.34
CYP1A2 P05177 1/20 0.34
HTR1A P08908 1/20 0.34
SCN1A P35498 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN3A Q9NY46 1/20 0.34
TSHR P16473 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
SCHEMBL23317582 0.89 KMT2A (0.36) KMT2APOLBHPGDCYP3A4PTPRB
SCHEMBL23317332 0.87 KMT2A (0.39) KMT2APOLBHPGDCYP3A4PTPRB
SCHEMBL23317624 0.87 CYP3A4 (0.37) KMT2APOLBHPGDCYP3A4PTPRB
SCHEMBL23317253 0.86 KDM4E (0.42) KMT2ACYP3A4ALDH1A1PKMCYP1A2
SCHEMBL23317573 0.85 LMNA (0.45) KMT2APOLBHPGDALDH1A1NLRP3
SCHEMBL23317405 0.84 KMT2A (0.42) KMT2APOLBHPGDCYP3A4PTPRB
SCHEMBL23317545 0.83 PKM (0.34) KMT2AHPGDCYP3A4ALDH1A1PKM
SCHEMBL23317199 0.83 TSHR (0.37) KMT2APOLBHPGDCYP3A4ALDH1A1
SCHEMBL23317183 0.81 KMT2A (0.39) KMT2AHPGDCYP3A4PTPRBHSD17B10
SCHEMBL23294937 0.80 ATM (0.46) KMT2APOLBCYP3A4ALDH1A1NLRP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11701370-B2 Phosphonium ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2023-07-18 US disclosed
US-11701370-B2 Phosphonium ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2023-07-18 US disclosed
US-20210128589-A1 PHOSPHONIUM ION CHANNEL BLOCKERS AND METHODS FOR USE Nocion Therapeutics, Inc. 2021-05-06 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 (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-20210128589-A1 PHOSPHONIUM ION CHANNEL BLOCKERS AND METHODS FOR USE TRPV1, TRPV5, TRPA1 KMT2A 3568/4885POLB 1685/4885HPGD 1633/4885
US-11701370-B2 Phosphonium ion channel blockers and methods for use TRPV1, TRPV5, TRPA1 KMT2A 3568/4885POLB 1685/4885HPGD 1633/4885

“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.