SCHEMBL1887799

SCHEMBL1887799

COc1ccc(/C=C2/CCCCN2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.49
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
PIM1 P11309 1/20 0.44
AKR1B1 P15121 1/20 0.44
PIM2 Q9P1W9 1/20 0.44
DYRK1A Q13627 4/20 0.43
DYRK1B Q9Y463 3/20 0.43
CLK1 P49759 3/20 0.43
EGFR P00533 1/20 0.43
MAPT P10636 1/20 0.42
METAP1 P53582 1/20 0.41
PABPC1 P11940 1/20 0.41
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
KMT2A Q03164 1/20 0.41
GSK3B P49841 1/20 0.41
ALDH1A1 P00352 3/20 0.40
CYP2A6 P11509 1/20 0.40
POLB P06746 1/20 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
SCHEMBL1887801 1.00 CYP1A2 (0.49) CYP1A2NPC1RAB9APIM1AKR1B1
SCHEMBL8911721 0.95 CYP1A2 (0.45) CYP1A2NPC1RAB9APIM1AKR1B1
SCHEMBL1889060 0.81 EGFR (0.50) NPC1RAB9APIM1AKR1B1PIM2
SCHEMBL1889059 0.81 EGFR (0.50) NPC1RAB9APIM1AKR1B1PIM2
SCHEMBL1890697 0.81 CYP1A2 (0.44) CYP1A2NPC1RAB9APIM1PIM2
SCHEMBL1890698 0.81 CYP1A2 (0.44) CYP1A2NPC1RAB9APIM1PIM2
SCHEMBL7865394 0.81 ALDH1A1 (0.46) CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL28868873 0.80 MAPT (0.51) CYP1A2NPC1PIM1PIM2MAPT
SCHEMBL1888469 0.77 AKR1C3 (0.43) PIM1PIM2EGFRMAPTKMT2A
SCHEMBL1888470 0.77 AKR1C3 (0.43) PIM1PIM2EGFRMAPTKMT2A

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 CYP1A2 1092/4885NPC1 1206/4885RAB9A 1714/4885

“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.