SCHEMBL2233734

SCHEMBL2233734

CC(C)(C)c1cc(C(C)(C)C)cc(C(O)(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)[C@@H](N)Cc2ccccc2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.68
LMNA P02545 1/20 0.68
MAPK1 P28482 1/20 0.68
SLC6A2 P23975 2/20 0.43
TAAR1 Q96RJ0 2/20 0.43
MAOA P21397 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
CYP2A6 P11509 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
EPHX1 P07099 1/20 0.41
ANPEP P15144 2/20 0.41
CYP2D6 P10635 1/20 0.41
ALPI P09923 1/20 0.40
PKM P14618 1/20 0.40
PTGS1 P23219 1/20 0.40
XIAP P98170 1/20 0.40
SLC7A5 Q01650 1/20 0.40

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
SCHEMBL2149652 1.00 KDM4E (0.68) KDM4ELMNAMAPK1SLC6A2TAAR1
SCHEMBL1131200 0.83 KDM4E (0.96) KDM4ELMNAMAPK1SLC6A2TAAR1
SCHEMBL294458 0.83 KDM4E (0.96) KDM4ELMNAMAPK1SLC6A2TAAR1
SCHEMBL1262139 0.83 KDM4E (0.96) KDM4ELMNAMAPK1SLC6A2TAAR1
SCHEMBL2150000 0.82 LMNA (0.56) KDM4ELMNAMAPK1SLC6A2TAAR1
SCHEMBL1153586 0.79 KDM4E (0.75) KDM4ELMNAMAPK1SLC6A2TAAR1
Acetic Acid SCHEMBL8841092 0.79 KDM4E (0.81) KDM4ELMNAMAPK1SLC6A2TAAR1
Acetic Acid SCHEMBL8841087 0.79 KDM4E (0.81) KDM4ELMNAMAPK1SLC6A2TAAR1
SCHEMBL1153584 0.79 KDM4E (0.75) KDM4ELMNAMAPK1SLC6A2TAAR1
SCHEMBL7103304 0.78 KDM4E (0.69) KDM4ELMNAMAPK1SLC6A2TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680328-B2 Method for producing optically active cyclopropane carboxylic acid ester compound, asymmetric copper complex, and optically active salicylideneaminoalcohol compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-03-25 US disclosed
US-20110166372-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOPROPANE CARBOXYLIC ACID ESTER COMPOUND, ASYMMETRIC COPPER COMPLEX, AND OPTICALLY ACTIVE SALICYLIDENEAMINOALCOHOL COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-07 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-20110166372-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOPROPANE CARBOXYLIC ACID ESTER COMPOUND, ASYMMETRIC COPPER COMPLEX, AND OPTICALLY ACTIVE SALICYLIDENEAMINOALCOHOL COMPOUND ALDH18A1, ALDH3A1, DECR1 KDM4E 3058/4885LMNA 4539/4885MAPK1 2654/4885

“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.