SCHEMBL16982004

SCHEMBL16982004

CC(C)CCc1ccc(C(=O)NC(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.59
MEN1 O00255 2/20 0.59
ALDH1A1 P00352 2/20 0.59
LMNA P02545 1/20 0.59
CYP1A2 P05177 1/20 0.59
ALOX15 P16050 1/20 0.59
CYP2C19 P33261 1/20 0.59
PTGS2 P35354 1/20 0.59
HTT P42858 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
HPGD P15428 1/20 0.55
TAS1R3 Q7RTX0 3/20 0.54
TAS1R1 Q7RTX1 3/20 0.54
HSP90AA1 P07900 1/20 0.52
MLYCD O95822 1/20 0.51
ACACB O00763 1/20 0.50
PLK1 P53350 1/20 0.46
POLB P06746 1/20 0.46
CTSG P08311 2/20 0.46
CTRB1 P17538 2/20 0.46

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
SCHEMBL16982001 0.84 PLK1 (0.66) KMT2AMEN1ALDH1A1LMNACYP1A2
SCHEMBL22040715 0.84 HDAC1 (0.61) KMT2AMEN1HTTSMN1; SMN2HSP90AA1
SCHEMBL21502000 0.84 TAS1R3 (0.67) KMT2AMEN1ALDH1A1LMNACYP1A2
SCHEMBL23513432 0.82 PTGS2 (0.63) ALDH1A1LMNACYP1A2ALOX15CYP2C19
SCHEMBL8590217 0.81 MLYCD (0.70) KMT2AMEN1ALDH1A1LMNACYP1A2
SCHEMBL8293519 0.81 CYP4A11 (0.62) KMT2AMEN1ALDH1A1CYP1A2ALOX15
SCHEMBL26707072 0.80 LMNA (0.67) ALDH1A1LMNACYP1A2ALOX15CYP2C19
SCHEMBL14380335 0.80 TAS1R3 (0.67) ALDH1A1LMNACYP1A2ALOX15CYP2C19
SCHEMBL3363186 0.80 ALDH1A1 (0.65) KMT2AMEN1ALDH1A1LMNACYP1A2
SCHEMBL16982003 0.80 KMT2A (0.50) KMT2AMEN1ALDH1A1LMNAHTT

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-20150218110-A1 USE OF SUBSTITUTED BENZODIAZEPINONES AND BENZAZEPINONES OR THE SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2015-08-06 US disclosed
US-20150218110-A1 USE OF SUBSTITUTED BENZODIAZEPINONES AND BENZAZEPINONES OR THE SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2015-08-06 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-20150218110-A1 USE OF SUBSTITUTED BENZODIAZEPINONES AND BENZAZEPINONES OR THE SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS GABBR1, GABRA1, GABRA6 KMT2A 2207/4885MEN1 4596/4885ALDH1A1 469/4885

“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.