SCHEMBL1890697

SCHEMBL1890697

Cc1ccc(/C=C2/CCCCN2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 3/20 0.40
PIM1 P11309 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
NISCH Q9Y2I1 2/20 0.39
MAPT P10636 4/20 0.37
RAB9A P51151 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
NPC1 O15118 3/20 0.37
KDM4E B2RXH2 2/20 0.37
POLB P06746 1/20 0.37
RECQL P46063 1/20 0.37
MDM2 Q00987 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
FGF23 Q9GZV9 2/20 0.36
CYP2A6 P11509 1/20 0.34

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
SCHEMBL1890698 1.00 CYP1A2 (0.44) CYP1A2KMT2AMEN1HPGDPIM1
SCHEMBL1888470 0.81 AKR1C3 (0.43) KMT2AMEN1PIM1PIM2MAPT
SCHEMBL1885997 0.81 HSD11B1 (0.44) KMT2AMEN1HPGDPIM1PIM2
SCHEMBL1888469 0.81 AKR1C3 (0.43) KMT2AMEN1PIM1PIM2MAPT
SCHEMBL1885998 0.81 HSD11B1 (0.44) KMT2AMEN1HPGDPIM1PIM2
SCHEMBL2261719 0.81 CYP1A2 (0.41) CYP1A2KMT2AMEN1HPGDPIM1
SCHEMBL2258288 0.81 CYP1A2 (0.41) CYP1A2KMT2AMEN1HPGDPIM1
SCHEMBL1887801 0.81 CYP1A2 (0.49) CYP1A2KMT2APIM1PIM2MAPT
SCHEMBL1887799 0.81 CYP1A2 (0.49) CYP1A2KMT2APIM1PIM2MAPT
SCHEMBL1887744 0.80 PIM1 (0.43) KMT2AMEN1PIM1PIM2NISCH

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 1092/4885KMT2A 1248/4885MEN1 786/4885

“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.