SCHEMBL1911630

SCHEMBL1911630

C[C@@H](NC=O)c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
MAPKAPK2 P49137 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL29062520 1.00 HTT (0.46) HTTALDH1A1KDM4ENPC1KMT2A
SCHEMBL14186856 1.00 HTT (0.46) HTTALDH1A1KDM4ENPC1KMT2A
SCHEMBL8763413 0.89 ADH1B (0.46) HTTALDH1A1KDM4EKMT2AHDAC1
SCHEMBL6810731 0.80 HTT (0.37) HTTALDH1A1KDM4ENPC1KMT2A
SCHEMBL5561037 0.79 SMN1; SMN2 (0.46) ALDH1A1LMNACYP2C19
SCHEMBL5565853 0.79 SMN1; SMN2 (0.46) ALDH1A1LMNACYP2C19
SCHEMBL7677679 0.79 FFAR2 (0.46) HTTALDH1A1HDAC4HDAC7HDAC5
SCHEMBL11857789 0.79 ESR1 (0.48) HTTALDH1A1KDM4EKMT2ALMNA
SCHEMBL20811278 0.79 FFAR2 (0.46) HTTALDH1A1HDAC4HDAC7HDAC5
SCHEMBL12613874 0.79 HTT (0.42) HTTALDH1A1KDM4ENPC1KMT2A

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
WO-2012013716-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS NOVARTIS AG (CH) 2012-02-02 WO disclosed
WO-2011067306-A1 CYCLOHEXANE DERIVATIVES AS INHIBITORS OF ACETYL-COA CARBOXYLASE (ACC) NOVARTIS AG (CH) 2011-06-09 WO disclosed
US-7217794-B2 Compounds and methods for treatment of thrombosis DAIAMED, INC. (US) 2007-05-15 US disclosed
US-20050143317-A1 Compounds and methods for treatment of thrombosis EXITHERA PHARMACEUTICALS LLC 2005-06-30 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 (1 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-20050143317-A1 Compounds and methods for treatment of thrombosis SERPINC1, F11, F13B HTT 1754/4885ALDH1A1 4052/4885KDM4E 1352/4885

“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.