SCHEMBL1887744

SCHEMBL1887744

Cc1cccc(C=C2CCCCN2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.43
PIM2 Q9P1W9 1/20 0.43
ALDH1A1 P00352 2/20 0.43
TDP1 Q9NUW8 2/20 0.42
TP53 P04637 1/20 0.42
NAT1 P18440 1/20 0.41
NPC1 O15118 2/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
MAPT P10636 2/20 0.40
GAA P10253 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HTT P42858 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
SCHEMBL1887743 1.00 PIM1 (0.43) PIM1PIM2ALDH1A1TDP1TP53
SCHEMBL1883409 0.81 CYP1A2 (0.51) PIM1PIM2ALDH1A1NPC1MAPT
SCHEMBL1883407 0.81 CYP1A2 (0.51) PIM1PIM2ALDH1A1NPC1MAPT
SCHEMBL1889059 0.80 EGFR (0.50) PIM1PIM2ALDH1A1NPC1CASP3
SCHEMBL1889060 0.80 EGFR (0.50) PIM1PIM2ALDH1A1NPC1CASP3
SCHEMBL1890697 0.80 CYP1A2 (0.44) PIM1PIM2ALDH1A1TDP1NPC1
SCHEMBL1890698 0.80 CYP1A2 (0.44) PIM1PIM2ALDH1A1TDP1NPC1
SCHEMBL2261719 0.79 CYP1A2 (0.41) PIM1PIM2ALDH1A1NAT1NPC1
SCHEMBL2258288 0.79 CYP1A2 (0.41) PIM1PIM2ALDH1A1NAT1NPC1
SCHEMBL11480321 0.78 CYP1A2 (0.40) PIM1PIM2ALDH1A1NAT1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7939672-B2 Phenylacetate derivatives or pharmaceutically acceptable salts thereof, preparation method thereof and composition for prevention or treatment of diseases induced by activation of T-type calcium ion channel containing the same as an active ingredient KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2011-05-10 US disclosed
US-20100056545-A1 NOVEL PHENYLACETATE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREOF AND COMPOSITION FOR PREVENTION OR TREATMENT OF DISEASES INDUCED BY ACTIVATION OF T-TYPE CALCIUM ION CHANNEL CONTAINING THE SAME AS AN ACTIVE INGREDIENT KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2010-03-04 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-20100056545-A1 NOVEL PHENYLACETATE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREOF AND COMPOSITION FOR PREVENTION OR TREATMENT OF DISEASES INDUCED BY ACTIVATION OF T-TYPE CALCIUM ION CHANNEL CONTAINING THE SAME AS AN ACTIVE INGREDIENT CACNA1A, CACNA1G, CACNA1H PIM1 4332/4885PIM2 4590/4885ALDH1A1 936/4885

“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.