SCHEMBL10339014

SCHEMBL10339014

COc1ccc(CC(C)C#N)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.54
ALOX15 P16050 2/20 0.54
ALOX12 P18054 2/20 0.54
CA2 P00918 1/20 0.53
FOS P01100 1/20 0.47
TTR P02766 1/20 0.47
JUN P05412 1/20 0.47
NR3C1 P04150 1/20 0.47
HSD17B1 P14061 1/20 0.47
HSD17B2 P37059 1/20 0.47
ATM Q13315 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.46
PPARG P37231 1/20 0.46
PPARD Q03181 1/20 0.46
PPARA Q07869 1/20 0.46
STAT3 P40763 1/20 0.45
POLB P06746 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP19A1 P11511 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
SCHEMBL11884878 0.85 FOS (0.69) ALOX15ALOX12FOSTTRJUN
SCHEMBL28760277 0.85 FOS (0.44) LDHAALOX15ALOX12FOSTTR
SCHEMBL4254158 0.84 LDHA (0.56) LDHAALOX15ALOX12CA2FOS
SCHEMBL7355462 0.83 PDE4A (0.52)
SCHEMBL11200364 0.83 LDHA (0.58) LDHAALOX15ALOX12CA2FOS
SCHEMBL18526003 0.82 ALOX15 (0.57) LDHAALOX15ALOX12CA2FOS
SCHEMBL9405351 0.81 LDHA (0.53) LDHAALOX15ALOX12CA2FOS
Hydrochloric Acid SCHEMBL9352870 0.80 LDHA (0.51) LDHAALOX15ALOX12CA2ATM
SCHEMBL12613921 0.80 LDHA (0.51) LDHAALOX15ALOX12CA2FOS
Terameprocol SCHEMBL194588 0.80 ALOX15 (0.77) LDHAALOX15ALOX12CA2FOS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2138163-A None JP disclosed
WO-2022140372-A1 METHODS FOR PRODUCING D-α-METHYLDOPA IMMUNOMOLECULAR THERAPEUTICS, INC. (US) 2022-06-30 WO disclosed
US-20110124634-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES PONIARD PHARMACEUTICALS, INC. 2011-05-26 US disclosed
JP-H02138163-A NONLINEAR OPTICAL MATERIAL COMPOSED OF CONJUGATED ORGANIC AMINE SALT TEIJIN LTD 1990-05-28 JP 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-20110124634-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES PARK7, BDNF, BACE1 LDHA 3094/4885ALOX15 95/4885ALOX12 148/4885

“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.