SCHEMBL17870655

SCHEMBL17870655

BrC1(c2ccccc2)OCO1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
MAOB P27338 7/20 0.33
MAOA P21397 4/20 0.33
PNMT P11086 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
CYP1A2 P05177 1/20 0.32

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
SCHEMBL29288290 0.91 HDAC1 (0.32) OPRM1OPRK1OPRL1HDAC1HDAC2
SCHEMBL2310548 0.85 CYP1A2 (0.36) OPRM1OPRK1OPRL1HDAC1HDAC2
SCHEMBL13745023 0.74 OPRM1 (0.37) OPRM1OPRK1OPRL1HDAC1HDAC2
SCHEMBL6253537 0.70 HDAC1 (0.42) OPRM1OPRK1OPRL1HDAC1HDAC2
SCHEMBL6189894 0.70 OPRM1 (0.39) OPRM1OPRK1OPRL1HDAC1HDAC2
SCHEMBL14559518 0.70 TSHR (0.37) MAOBMAOATAAR1
SCHEMBL8493053 0.69 LTA4H (0.44) MAOBMAOA
SCHEMBL9230201 0.67 SLC6A3 (0.40) HDAC1HDAC2
SCHEMBL230776 0.65 AKR1C1 (0.45) OPRM1OPRL1HDAC1HDAC2
SCHEMBL3247713 0.65 HDAC1 (0.39) OPRM1OPRK1OPRL1HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107108425-B Efficient process for the synthesis of alkoxy-substituted benzaldehydes 安西娅芳香剂私人有限公司 2021-04-27 CN disclosed
EP-3237394-B1 AN EFFICIENT PROCESS FOR THE SYNTHESIS OF ALKOXY SUBSTITUTED BENZALDEHYDES ANTHEA AROMATICS PRIVATE LTD (IN) 2020-06-03 EP disclosed
US-10633360-B2 Efficient process for the synthesis of alkoxy substituted benzaldehydes ANTHEA AROMATICS PRIVATE LIMITED (IN) 2020-04-28 US disclosed
US-20170349566-A1 AN EFFICIENT PROCESS FOR THE SYNTHESIS OF ALKOXY SUBSTITUTED BENZALDEHYDES ANTHEA AROMATICS PRIVATE LIMITED (IN) 2017-12-07 US disclosed
EP-3237394-A1 AN EFFICIENT PROCESS FOR THE SYNTHESIS OF ALKOXY SUBSTITUTED BENZALDEHYDES ANTHEA AROMATICS PRIVATE LIMITED (IN) 2017-11-01 EP disclosed
WO-2016103058-A1 AN EFFICIENT PROCESS FOR THE SYNTHESIS OF ALKOXY SUBSTITUTED BENZALDEHYDES ANTHEA AROMATICS PRIVATE LIMITED (IN) 2016-06-30 WO 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-20170349566-A1 AN EFFICIENT PROCESS FOR THE SYNTHESIS OF ALKOXY SUBSTITUTED BENZALDEHYDES HRH4, HAAO, HRH1 OPRM1 1231/4885OPRK1 1328/4885OPRL1 1189/4885
US-10633360-B2 Efficient process for the synthesis of alkoxy substituted benzaldehydes DHPS, HAAO, NISCH OPRM1 1542/4885OPRK1 1621/4885OPRL1 1877/4885

“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.