SCHEMBL7701701

SCHEMBL7701701

Fc1cccc(F)c1CCc1c(F)cccc1F

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 6/20 0.52
DAO P14920 2/20 0.50
KDM4E B2RXH2 5/20 0.43
GAA P10253 1/20 0.43
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
BACE1 P56817 1/20 0.36
ACHE P22303 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL6085227 0.85 TAAR1 (0.71) TAAR1DAOGAAALDH1A1SMN1; SMN2
SCHEMBL22050353 0.84 KDM4E (0.52) TAAR1DAOKDM4EALDH1A1SMN1; SMN2
SCHEMBL249134 0.83 TAAR1 (0.45) TAAR1DAOKDM4EGAAALDH1A1
SCHEMBL170879 0.83 TAAR1 (0.45) TAAR1DAOKDM4EGAAALDH1A1
SCHEMBL1461202 0.83 TAAR1 (0.45) TAAR1DAOKDM4EGAAALDH1A1
SCHEMBL6206211 0.83 TAAR1 (0.45) TAAR1DAOKDM4EGAAALDH1A1
SCHEMBL17552668 0.83 TAAR1 (0.45) TAAR1DAOKDM4EGAAALDH1A1
SCHEMBL172659 0.83 TAAR1 (0.45) TAAR1DAOKDM4EGAAALDH1A1
Hydrochloric Acid SCHEMBL2206528 0.83 TAAR1 (0.68) TAAR1DAOGAAALDH1A1SMN1; SMN2
SCHEMBL5734084 0.81 TAAR1 (0.54) TAAR1DAOGAA

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
US-20160376293-A1 NICKEL PRE-CATALYSTS AND RELATED COMPOSITIONS AND METHODS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-12-29 US disclosed
US-9382281-B2 Nickel pre-catalysts and related compositions and methods MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-07-05 US disclosed
US-20150141684-A1 NICKEL PRE-CATALYSTS AND RELATED COMPOSITIONS AND METHODS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-05-21 US disclosed
WO-2015070026-A1 NICKEL PRE-CATALYSTS AND RELATED COMPOSITIONS AND METHODS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-05-14 WO disclosed
US-6342504-B1 PEPTIDES AS ANTITHROMBINS AND ANTICOAGULANTS CORVAS INTERNATIONAL, INC. 2002-01-29 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-20150141684-A1 NICKEL PRE-CATALYSTS AND RELATED COMPOSITIONS AND METHODS SOD1, NIT2, MPO TAAR1 4211/4885DAO 2790/4885KDM4E 4170/4885
US-20160376293-A1 NICKEL PRE-CATALYSTS AND RELATED COMPOSITIONS AND METHODS SOD1, NIT2, MPO TAAR1 4211/4885DAO 2790/4885KDM4E 4170/4885

“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.