SCHEMBL18245244

SCHEMBL18245244

[C]#CCCCCc1ccc(Br)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.45
HTR2A P28223 1/20 0.45
HMOX1 P09601 1/20 0.41
HSP90AA1 P07900 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
IDO1 P14902 1/20 0.34
NPC1 O15118 1/20 0.34
NFKB1 P19838 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PLAAT3 P53816 1/20 0.34
PLAAT5 Q96KN8 1/20 0.34
PLAAT2 Q9NWW9 1/20 0.34
PLAAT4 Q9UL19 1/20 0.34
PYCR1 P32322 1/20 0.33

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
SCHEMBL18245228 0.94 TAAR1 (0.46) TAAR1HTR2AHMOX1SIGMAR1IDO1
SCHEMBL18245397 0.85 TAAR1 (0.50) TAAR1HTR2AIDO1PYCR1
SCHEMBL7904900 0.82 TAAR1 (0.62) TAAR1HTR2AHMOX1HSP90AA1SIGMAR1
SCHEMBL134452 0.79 TAAR1 (0.59) TAAR1HTR2AHMOX1HSP90AA1SIGMAR1
SCHEMBL15583726 0.79 TAAR1 (0.59) TAAR1HTR2AHMOX1HSP90AA1SIGMAR1
SCHEMBL18245378 0.79 TAAR1 (0.45) TAAR1IDO1
SCHEMBL1610783 0.79 HSD17B10 (0.48) HTR2ASMN1; SMN2
SCHEMBL1611527 0.79 ESR1 (0.44) HTR2A
SCHEMBL18245092 0.79 SIGMAR1 (0.36) SIGMAR1IDO1
SCHEMBL1609740 0.79 IGF1R (0.48) TAAR1IDO1

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 TAAR1 1466/4885HTR2A 4663/4885HMOX1 3310/4885
US-20160340374-A1 BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR ENPP3, GNG2, ENPP1 TAAR1 733/4885HTR2A 4714/4885HMOX1 4755/4885

“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.