SCHEMBL3051114

SCHEMBL3051114

O=C1CCCc2oc(-c3ccccc3)cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.47
LMNA P02545 2/20 0.43
MAPT P10636 4/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 3/20 0.43
MEN1 O00255 2/20 0.43
CYP2A6 P11509 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
PLA2G2A P14555 1/20 0.41
PLA2G4A P47712 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
TP53 P04637 3/20 0.40
HPGD P15428 3/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
TNKS O95271 3/20 0.40
CYP19A1 P11511 2/20 0.40
GABRP O00591 2/20 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
SCHEMBL13145547 0.90 CDC7 (0.49) CDC7MAPTKMT2AALDH1A1KDM4E
SCHEMBL28738869 0.84 HSD17B1 (0.53) CDC7LMNAMAPTKMT2AALDH1A1
SCHEMBL8352602 0.84 EGFR (0.45) CDC7KMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL28738859 0.82 MAOB (0.57) MAPTALDH1A1MAOAMAOBSMN1; SMN2
SCHEMBL11808482 0.81 CDC7 (0.63) CDC7MAPTKMT2AALDH1A1KDM4E
SCHEMBL13597558 0.79 GABRP (0.46) CDC7LMNAMAPTKMT2AALDH1A1
SCHEMBL28738860 0.75 CYP1A2 (0.42) CDC7KMT2AALDH1A1MAOAMAOB
SCHEMBL10824405 0.75 PLA2G2A (0.50) MAPTKMT2AALDH1A1KDM4EMEN1
SCHEMBL10427272 0.74 CDC7 (0.41) CDC7MAPTKMT2AALDH1A1KDM4E
SCHEMBL31435593 0.73 PLK1 (0.41) CDC7ALDH1A1SMN1; SMN2NPC1RAB9A

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-20100261736-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASE LAMPE THOMAS 2010-10-14 US disclosed
US-20100261736-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASE LAMPE THOMAS 2010-10-14 US disclosed
US-20100261736-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASE LAMPE THOMAS 2010-10-14 US disclosed
WO-2008155017-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-24 WO disclosed
US-3952025-A ANALGESIC, TRANQUILIZER AMERICAN HOECHST CORPORATION (US) 1976-04-20 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-20100261736-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASE HMGCR, PCSK9, FABP3 CDC7 2513/4885LMNA 101/4885MAPT 4638/4885

“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.