SCHEMBL3393616

SCHEMBL3393616

C=CCNCC=C.CCn1ccc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.49
CCND1 P24385 4/20 0.49
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
KMT2A Q03164 1/20 0.45
MAPK1 P28482 2/20 0.42
HTT P42858 1/20 0.42
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTR6 P50406 1/20 0.40
HSD17B10 Q99714 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL1616727 0.84 CDK4 (0.52) CDK4CCND1HTR2AHTR2CKMT2A
SCHEMBL29433250 0.83 CDK4 (0.68) CDK4CCND1HTR2AHTR2CKMT2A
SCHEMBL1629560 0.83 CDK4 (0.68) CDK4CCND1HTR2AHTR2CKMT2A
Dimethylamine SCHEMBL8570899 0.81 CDK4 (0.61) CDK4CCND1HTR2AHTR2CKMT2A
SCHEMBL3365353 0.81 CDK4 (0.43) CDK4CCND1HTR2AHTR2CKMT2A
SCHEMBL29376741 0.74 CDK4 (0.67) CDK4CCND1HTR2AHTR2CKMT2A
SCHEMBL3394303 0.74 CDK4 (0.67) CDK4CCND1HTR2AHTR2CKMT2A
Naphthalene SCHEMBL10831150 0.73 ALOX12 (0.42) KMT2AHTTGAASMN1; SMN2CYP1A2
Hydrochloric Acid SCHEMBL28421887 0.73 CDK4 (0.64) CDK4CCND1HTR2AHTR2CKMT2A
SCHEMBL7198956 0.71 CDK4 (0.68) CDK4CCND1HTR2AHTR2CKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121601-B1 NOVEL INDOLE DERIVATIVES, METHODS FOR PREPARING SAME, AND USE THEREOF PARTICULARLY AS ANTIBACTERIAL AGENTS Université Joseph Fourier (FR) 2016-06-15 EP disclosed
US-8343964-B2 Indolic derivatives, their preparation processes and their uses in particular as antibacterials UNIVERSITE JOSEPH FOURIER (FR) 2013-01-01 US disclosed
US-20100144726-A1 NOVEL INDOLIC DERIVATIVES, THEIR PREPARATION PROCESSES AND THEIR USES IN PARTICULAR AS ANTIBACTERIALS UNIVERSITE JOSEPH FOURIER (FR) 2010-06-10 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-20100144726-A1 NOVEL INDOLIC DERIVATIVES, THEIR PREPARATION PROCESSES AND THEIR USES IN PARTICULAR AS ANTIBACTERIALS GPBAR1, TPH1, GPER1 CDK4 2529/4885CCND1 1259/4885HTR2A 1006/4885

“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.