SCHEMBL16945958

SCHEMBL16945958

Cc1ccc(-c2ccc(-c3ccc(C#N)cc3)c(F)c2)cc1C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.47
▸ PDE3B Q13370 2/20 0.46
▸ PDE3A Q14432 2/20 0.46
▸ KDM1A O60341 1/20 0.42
▸ PTGS2 P35354 4/20 0.41
▸ PTGS1 P23219 3/20 0.40
▸ TP53 P04637 1/20 0.40
▸ CYP11B2 P19099 4/20 0.40
▸ CYP11B1 P15538 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP2A6 P11509 1/20 0.38
▸ NSD2 O96028 1/20 0.38
▸ AKR1C3 P42330 1/20 0.38
▸ AKR1C2 P52895 1/20 0.38
▸ RORC P51449 1/20 0.37

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
SCHEMBL15810308 0.86 AR (0.47) KIF11PDE3BPDE3AKDM1A
SCHEMBL397141 0.86 KIF11 (0.61) KIF11PDE3BPDE3APTGS1CYP11B2
SCHEMBL91862 0.85 ALDH1A1 (0.53) KIF11PDE3BPDE3AKDM1ACYP11B2
SCHEMBL91992 0.85 ALDH1A1 (0.53) KIF11PDE3BPDE3AKDM1ACYP11B2
SCHEMBL16941052 0.85 KIF11 (0.43) KIF11PDE3BPDE3AKDM1APTGS1
SCHEMBL16945932 0.84 PTGS2 (0.47) KIF11PDE3BPDE3AKDM1APTGS2
SCHEMBL26555703 0.83 CYP11B2 (0.44) KIF11KDM1ATP53CYP11B2CYP11B1
SCHEMBL19912967 0.82 PTGS2 (0.50) PDE3BPDE3APTGS2PTGS1AKR1C3
SCHEMBL10304732 0.82 KIF11 (0.50) KIF11TP53CYP11B2ALDH1A1CYP2A6
SCHEMBL16941059 0.82 PDE3B (0.40) KIF11PDE3BPDE3AKDM1ACYP11B2

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-9644144-B2 Bimesogenic compounds and mesogenic media MERCK PATENT GMBH (DE) 2017-05-09 — — US disclosed
US-20160229795-A1 COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2016-08-11 — — US disclosed
US-20160222293-A1 MESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2016-08-04 — — US disclosed
US-20150315470-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2015-11-05 — — US disclosed
US-20150210921-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2015-07-30 — — 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 (3 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-20160229795-A1 COMPOUNDS AND MESOGENIC MEDIA MTX1, NEFM, MTX2 KIF11 512/4885PDE3B 1993/4885PDE3A 1715/4885
US-20150210921-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA SP1, FOXM1, S100A11 KIF11 30/4885PDE3B 4695/4885PDE3A 4738/4885
US-20150315470-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA SP1, FOXM1, S100A11 KIF11 30/4885PDE3B 4695/4885PDE3A 4738/4885

“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.

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