SCHEMBL18245397

SCHEMBL18245397

[C]#CCCc1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.50
HTR2A P28223 1/20 0.50
CYP2A6 P11509 1/20 0.38
IDO1 P14902 2/20 0.38
PYCR1 P32322 4/20 0.36
MAOB P27338 3/20 0.36
POLB P06746 1/20 0.35
CTDSP1 Q9GZU7 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
SCHEMBL18245228 0.86 TAAR1 (0.46) TAAR1HTR2ACYP2A6IDO1PYCR1
SCHEMBL18245244 0.85 TAAR1 (0.45) TAAR1HTR2AIDO1PYCR1
SCHEMBL18244807 0.76 TAAR1 (0.50) TAAR1IDO1MAOB
SCHEMBL18245358 0.76 CYP3A4 (0.38) IDO1PYCR1
SCHEMBL1612274 0.76 TAAR1 (0.50) TAAR1CYP2A6IDO1
SCHEMBL98012 0.76 TAAR1 (0.50) TAAR1HTR2ACYP2A6IDO1PYCR1
SCHEMBL1610569 0.76 CYP1A2 (0.50) TAAR1CYP2A6IDO1PYCR1
SCHEMBL12964909 0.76 PYCR1 (0.53) TAAR1HTR2ACYP2A6IDO1PYCR1
SCHEMBL5546173 0.76 TAAR1 (0.50) TAAR1HTR2ACYP2A6IDO1PYCR1
SCHEMBL1611146 0.76 LPL (0.45) POLBCTDSP1

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 4663/4885CYP2A6 3403/4885
US-20160340374-A1 BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR ENPP3, GNG2, ENPP1 TAAR1 733/4885HTR2A 4714/4885CYP2A6 4116/4885

“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.