SCHEMBL1889059

SCHEMBL1889059

COc1cccc(/C=C2/CCCCN2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.50
PIM1 P11309 1/20 0.47
AKR1B1 P15121 1/20 0.47
PIM2 Q9P1W9 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
CHRM5 P08912 1/20 0.45
MAPT P10636 4/20 0.44
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
PKM P14618 1/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RELA Q04206 1/20 0.44
HPGD P15428 1/20 0.43

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
SCHEMBL1889060 1.00 EGFR (0.50) EGFRPIM1AKR1B1PIM2NPC1
Hydrochloric Acid SCHEMBL23850941 0.89 PIM1 (0.50) EGFRPIM1AKR1B1PIM2NPC1
SCHEMBL1887801 0.81 CYP1A2 (0.49) EGFRPIM1AKR1B1PIM2NPC1
SCHEMBL1887799 0.81 CYP1A2 (0.49) EGFRPIM1AKR1B1PIM2NPC1
SCHEMBL1887743 0.80 PIM1 (0.43) PIM1PIM2NPC1RAB9ACASP3
SCHEMBL1887744 0.80 PIM1 (0.43) PIM1PIM2NPC1RAB9ACASP3
SCHEMBL8809971 0.79 AKR1B1 (0.49) AKR1B1MAPTALDH1A1KMT2AHPGD
SCHEMBL8809966 0.79 AKR1B1 (0.49) AKR1B1MAPTALDH1A1KMT2AHPGD
SCHEMBL28581573 0.79 PIM1 (0.50) EGFRPIM1AKR1B1PIM2NPC1
Hydrochloric Acid SCHEMBL8807981 0.78 AKR1B1 (0.48) AKR1B1MAPTALDH1A1KMT2AHPGD

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 EGFR 3755/4885PIM1 4332/4885AKR1B1 1027/4885

“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.