SCHEMBL3301381

SCHEMBL3301381

COc1cccc(Cc2ccccc2)c1OC

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 5/20 0.60
ABCG2 Q9UNQ0 2/20 0.60
HTR1A P08908 1/20 0.60
ADRA1D P25100 1/20 0.60
ADRA1A P35348 1/20 0.60
ADRA1B P35368 1/20 0.60
BCHE P06276 4/20 0.51
ACHE P22303 2/20 0.49
BACE1 P56817 2/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL3306584 0.86 SMN1; SMN2 (0.54) ABCB1ABCG2MEN1KMT2APOLB
SCHEMBL28318659 0.85 SMN1; SMN2 (0.64) ABCB1ABCG2HTR1AADRA1DADRA1A
SCHEMBL11434004 0.84 CYP19A1 (0.50) ABCB1ABCG2HTR1AADRA1DADRA1A
SCHEMBL6035940 0.84 ROCK2 (0.50) ABCB1ABCG2HTR1AADRA1DADRA1A
SCHEMBL621779 0.84 HTR1A (0.58) ABCB1HTR1AADRA1DADRA1AADRA1B
SCHEMBL21030103 0.84 ABCB1 (0.77) ABCB1ABCG2HTR1ABCHE
SCHEMBL27789891 0.83 LTA4H (0.47) ABCB1ABCG2HTR1AADRA1DADRA1A
SCHEMBL2093881 0.81 HTR1A (0.52) ABCB1ABCG2HTR1AADRA1DADRA1A
SCHEMBL9185713 0.81 CA2 (0.61) ABCB1ABCG2POLBKDM4E
SCHEMBL27950805 0.80 BCHE (0.50) ABCB1ABCG2HTR1AADRA1DADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109715680-A The method for preparing high-cis -1,4- polydiene with the carbon monoxide-olefin polymeric based on lanthanide series 株式会社普利司通 2019-05-03 CN claimed
US-8492384-B2 Imidazolylalkylcarbonyl derivatives as calcium channel modulators and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-07-23 US claimed
US-20090325979-A1 NOVEL IMIDAZOLYLALKYLCARBONYL DERIVATIVES AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-12-31 US claimed
CN-109715680-A The method for preparing high-cis -1,4- polydiene with the carbon monoxide-olefin polymeric based on lanthanide series 株式会社普利司通 2019-05-03 CN disclosed
US-8492384-B2 Imidazolylalkylcarbonyl derivatives as calcium channel modulators and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-07-23 US disclosed
US-8299072-B2 Pyrazolylmethylamine compounds as calcium channel modulators and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-10-30 US disclosed
US-20100094006-A1 NOVEL PYRAZOLYLMETHYLAMINE COMPOUNDS AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2010-04-15 US disclosed
US-20090325979-A1 NOVEL IMIDAZOLYLALKYLCARBONYL DERIVATIVES AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-12-31 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 (2 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-20090325979-A1 NOVEL IMIDAZOLYLALKYLCARBONYL DERIVATIVES AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF CACNA1B, CACNA1C, ORAI1 ABCB1 1233/4885ABCG2 1991/4885HTR1A 1240/4885
US-20100094006-A1 NOVEL PYRAZOLYLMETHYLAMINE COMPOUNDS AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF CACNA1I, CACNA1C, ORAI1 ABCB1 1326/4885ABCG2 1593/4885HTR1A 482/4885

“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.