SCHEMBL2789098

SCHEMBL2789098

[C]#Cc1c(OC)ccc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.58
NQO1 P15559 1/20 0.47
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
NISCH Q9Y2I1 1/20 0.42
IMPDH2 P12268 1/20 0.41
IMPDH1 P20839 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
IDO1 P14902 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
FGB P02675 1/20 0.40

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
SCHEMBL12988355 0.81 MAPT (0.58) MAPTNQO1KDM4EHPGDMEN1
SCHEMBL3081463 0.81 MAPT (0.58) MAPTNQO1KDM4EHPGDMEN1
SCHEMBL881195 0.81 MAPT (0.58) MAPTNQO1KDM4EHPGDMEN1
SCHEMBL12267869 0.80 MAPT (0.56) MAPTNQO1KDM4EHPGDMEN1
SCHEMBL26259291 0.77 MAPT (0.53) MAPTNQO1KDM4EHPGDMEN1
SCHEMBL652710 0.77 MAPT (0.53) MAPTNQO1KDM4EHPGDMEN1
SCHEMBL26259295 0.76 MAPT (0.51) MAPTNQO1KDM4EHPGDMEN1
SCHEMBL26259289 0.76 MAPT (0.51) MAPTNQO1KDM4EHPGDMEN1
SCHEMBL28891743 0.75 MAPT (0.64) MAPTNQO1KDM4EHPGDMEN1
SCHEMBL998182 0.74 MAPT (1.00) MAPTNQO1KDM4EHPGDMEN1

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 5 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
WO-2010107784-A1 METHODS FOR ACTIVATION CONTROL OF PHOTOPOLYMERIZATION FOR HOLOGRAPHIC DATA STORAGE USING AT LEAST TWO WAVELENGTHS STX APRILIS, INC. (US) 2010-09-23 WO 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 MAPT 2226/4885NQO1 121/4885KDM4E 4758/4885
US-20160340374-A1 BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR ENPP3, GNG2, ENPP1 MAPT 3913/4885NQO1 2535/4885KDM4E 3364/4885

“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.