SCHEMBL3378951

SCHEMBL3378951

CC(C)(CN)c1cccc(C(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.55
KIF11 P52732 2/20 0.54
RXRA P19793 2/20 0.49
RXRB P28702 2/20 0.49
NPC1 O15118 1/20 0.48
POLB P06746 1/20 0.48
CYP2C9 P11712 1/20 0.48
RAB9A P51151 1/20 0.48
ACHE P22303 3/20 0.46
SRD5A2 P31213 1/20 0.45
NR4A1 P22736 1/20 0.44
NR4A2 P43354 1/20 0.44
NR4A3 Q92570 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA6 P23280 1/20 0.44
CA9 Q16790 1/20 0.44
FOLH1 Q04609 1/20 0.43

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
SCHEMBL9244517 0.84 RXRA (0.50) KIF11RXRARXRBNPC1POLB
SCHEMBL120251 0.84 NPC1 (0.64) KIF11RXRARXRBNPC1POLB
SCHEMBL8473785 0.83 RXRA (0.49) KIF11RXRARXRBNPC1POLB
SCHEMBL27477964 0.82 TAAR1 (0.46) TAAR1KIF11NPC1POLBCYP2C9
SCHEMBL4443803 0.82 LOXL2 (0.58) TAAR1POLBRAB9AACHECA12
SCHEMBL19658037 0.81 POLB (0.50) KIF11RXRARXRBNPC1POLB
SCHEMBL12065518 0.80 RXRA (0.53) KIF11RXRARXRBCYP2C9ACHE
SCHEMBL22096339 0.80 NPC1 (0.52) KIF11RXRARXRBNPC1POLB
SCHEMBL3939193 0.80 RAB9A (0.49) KIF11RXRARXRBNPC1POLB
SCHEMBL28980761 0.80 NR1H4 (0.49) KIF11RXRARXRBNPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024150676-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION 富士フイルム株式会社 2024-07-18 WO disclosed
EP-2342177-B1 NOVEL POTASSIUM CHANNEL BLOCKERS JAPAN TOBACCO INC (JP) 2017-02-15 EP disclosed
US-9447033-B2 Potassium channel blockers JAPAN TOBACCO INC. (JP) 2016-09-20 US disclosed
US-20150259282-A1 Potassium Channel Blockers XENTION LIMITED (GB) 2015-09-17 US disclosed
US-9073834-B2 Potassium channel blockers XENTION LIMITED (GB) 2015-07-07 US disclosed
US-20140221337-A1 Potassium Channel Blockers XENTION LIMITED (GB) 2014-08-07 US disclosed
US-8673901-B2 Potassium channel blockers XENTION LIMITED (GB) 2014-03-18 US disclosed
US-20100087428-A1 Novel Potassium Channel Blockers XENTION LIMITED (GB) 2010-04-08 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 (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-20140221337-A1 Potassium Channel Blockers KCNJ2, KCNH2, KCNB1 TAAR1 571/4885KIF11 542/4885RXRA 2155/4885
US-20100087428-A1 Novel Potassium Channel Blockers HCN4, SCN2B, KCNH2 TAAR1 313/4885KIF11 2744/4885RXRA 561/4885
US-20150259282-A1 Potassium Channel Blockers KCNJ2, KCNH2, KCNB1 TAAR1 571/4885KIF11 542/4885RXRA 2155/4885

“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.