SCHEMBL10083334

SCHEMBL10083334

O=C(O)C1(c2cccc(OCc3ccccc3)c2)CC1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.57
NR4A2 P43354 1/20 0.56
CYP4F2 P78329 2/20 0.54
CYP4A11 Q02928 2/20 0.54
ADAM17 P78536 2/20 0.53
SMPD1 P17405 1/20 0.51
KMT2A Q03164 1/20 0.51
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
PKM P14618 1/20 0.50
SRD5A2 P31213 1/20 0.50
FFAR1 O14842 1/20 0.49
PTPN1 P18031 1/20 0.49
MAOA P21397 1/20 0.49

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
SCHEMBL7810973 0.94 AKR1C1 (0.55) MAOBNR4A2CYP4F2CYP4A11ADAM17
SCHEMBL7807445 0.91 ALDH1A1 (0.54) MAOBNR4A2CYP4F2CYP4A11ADAM17
SCHEMBL11069452 0.91 ALOX5 (0.53) MAOBNR4A2CYP4F2CYP4A11ADAM17
SCHEMBL6440684 0.84 ALOX5 (0.56) MAOBNR4A2ADAM17KDM4E
SCHEMBL7807417 0.84 ADAM17 (0.57) MAOBNR4A2ADAM17SMPD1KMT2A
SCHEMBL14347698 0.84 NR4A1 (0.57) MAOBNR4A2KMT2ASRD5A2FFAR1
SCHEMBL23972331 0.83 F10 (0.51) MAOBNR4A2CYP4F2CYP4A11ADAM17
SCHEMBL958449 0.82 KMT2A (0.51) MAOBCYP4F2CYP4A11KMT2A
Hydrochloric Acid SCHEMBL26602808 0.82 F2 (0.51) MAOBNR4A2CYP4F2CYP4A11ADAM17
SCHEMBL2846350 0.82 ADAM17 (0.60) MAOBNR4A2ADAM17SMPD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9303027-B2 Kappa opioid receptor agonists DR. REDDY'S LABORATORIES LTD. (IN) 2016-04-05 US disclosed
US-9303027-B2 Kappa opioid receptor agonists DR. REDDY'S LABORATORIES LTD. (IN) 2016-04-05 US disclosed
US-20130303525-A1 KAPPA OPIOID RECEPTOR AGONISTS DR. REDDY'S LABORATORIES, INC. (US) 2013-11-14 US disclosed
US-20130303525-A1 KAPPA OPIOID RECEPTOR AGONISTS DR. REDDY'S LABORATORIES, INC. (US) 2013-11-14 US disclosed
WO-2012012410-A2 KAPPA OPIOID RECEPTOR AGONISTS DR. REDDY'S LABORATORIES LTD. (IN) 2012-01-26 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 (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-20130303525-A1 KAPPA OPIOID RECEPTOR AGONISTS OPRK1, OPRL1, OPRD1 MAOB 1814/4885NR4A2 453/4885CYP4F2 1887/4885

“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.