SCHEMBL5489263

SCHEMBL5489263

CCOC(=O)Cc1ccc(OCC)c(OCC)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
MAPT P10636 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
HTT P42858 2/20 0.52
KDM4E B2RXH2 1/20 0.52
POLB P06746 1/20 0.51
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALPL P05186 1/20 0.46
ALPI P09923 1/20 0.46
ALPG P10696 1/20 0.46
GAA P10253 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP4Z1 Q86W10 1/20 0.46
NPC1 O15118 1/20 0.45

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
SCHEMBL29463785 1.00 ALDH1A1 (0.56) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL3782064 0.92 LMNA (0.55) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL5461111 0.91 L3MBTL1 (0.56) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL1890195 0.88 ALDH1A1 (0.52) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL28601211 0.87 ALDH1A1 (0.56) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL14431528 0.87 MEN1 (0.47) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL137848 0.86 MAPT (0.52) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL18524355 0.86 ABL1 (0.46) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL3726422 0.86 ALDH1A1 (0.51) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL1882466 0.85 ALDH1A1 (0.44) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111170847-B Novel method for preparing drotaverine hydrochloride intermediate 江苏联环药业股份有限公司 2022-02-18 CN claimed
CN-111170847-A Novel method for preparing drotaverine hydrochloride intermediate 江苏联环药业股份有限公司 2020-05-19 CN claimed
CN-111170847-B Novel method for preparing drotaverine hydrochloride intermediate 江苏联环药业股份有限公司 2022-02-18 CN disclosed
CN-111170847-A Novel method for preparing drotaverine hydrochloride intermediate 江苏联环药业股份有限公司 2020-05-19 CN disclosed
US-7250410-B2 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses thereof VIA PHARMACEUTICALS, INC. (US) 2007-07-31 US disclosed
US-20040152888-A1 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses thereof BAY CITY CAPITAL LLC 2004-08-05 US disclosed
US-4442108-A SPASMOLYTIC, HYPOTENSIVE LABORATOIRES SOBIO S.A. OF IMMEUBLE PERISUD (FR) 1984-04-10 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-20040152888-A1 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses thereof PDE7A, PDE3B, PDE3A ALDH1A1 395/4885MAPT 4388/4885CYP1A2 155/4885

“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.