SCHEMBL18245449

SCHEMBL18245449

[Li]C#Cc1ccc(SCCCC)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.46
MAOB P27338 3/20 0.46
AR P10275 2/20 0.41
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SLC2A1 P11166 1/20 0.39
XDH P47989 1/20 0.37
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
MAPT P10636 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35

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
SCHEMBL18245193 0.89 CA12 (0.44) MAOAMAOBARALDH1A1NPC1
SCHEMBL17089264 0.85 MAOA (0.49) MAOAMAOBARALDH1A1NPC1
SCHEMBL10300068 0.81 THRB (0.48) MAOAMAOBARALDH1A1NPC1
SCHEMBL18244880 0.81 SLC6A4 (0.40) MAOAMAOBNPC1RAB9A
SCHEMBL23335180 0.81 KDM4E (0.53) MAOAMAOBARALDH1A1NPC1
SCHEMBL5887468 0.80 MAOA (0.62) MAOAMAOBARALDH1A1NPC1
SCHEMBL17088438 0.79 HPGD (0.46) MAOAMAOBARALDH1A1NPC1
SCHEMBL10338127 0.79 MAOA (0.51) MAOAMAOBARALDH1A1NPC1
SCHEMBL17088439 0.79 MAOA (0.44) MAOAMAOBARALDH1A1NPC1
SCHEMBL18244961 0.78 MAOA (0.49) MAOAMAOBARALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3098226-B1 BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR FUJIFILM WAKO PURE CHEMICAL CORP (JP) 2018-12-12 EP disclosed
US-10100070-B2 Borate-based base generator, and base-reactive composition comprising such base generator FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2018-10-16 US disclosed
EP-3098226-A1 BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR Wako Pure Chemical Industries, Ltd. (JP) 2016-11-30 EP disclosed
US-20160340374-A1 BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2016-11-24 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-10100070-B2 Borate-based base generator, and base-reactive composition comprising such base generator BLM, HPRT1, BROX MAOA 1352/4885MAOB 918/4885AR 2639/4885
US-20160340374-A1 BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR ENPP3, GNG2, ENPP1 MAOA 3735/4885MAOB 2628/4885AR 2359/4885

“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.