SCHEMBL995080

SCHEMBL995080

C=CC1(C(=O)OCC)CC1N

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.35
ALOX15 P16050 1/20 0.34
ALDH1A1 P00352 3/20 0.33
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 3/20 0.32
HSD17B10 Q99714 1/20 0.31
GAA P10253 2/20 0.31
NOS3 P29474 1/20 0.30
NOS2 P35228 1/20 0.30
ADAM17 P78536 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MGAM O43451 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30
SOAT1 P35610 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL10945598 0.79 LMNA (0.35) ATMALDH1A1POLBNPSR1LMNA
SCHEMBL15083993 0.72 ALOX15 (0.38) ATMALOX15ALDH1A1POLBLMNA
SCHEMBL375078 0.70 ALDH1A1 (0.35) ATMALOX15ALDH1A1POLBNPSR1
SCHEMBL374987 0.70 ALDH1A1 (0.35) ATMALOX15ALDH1A1POLBNPSR1
SCHEMBL3799193 0.70 ALDH1A1 (0.35) ATMALOX15ALDH1A1POLBNPSR1
SCHEMBL374714 0.70 ALDH1A1 (0.35) ATMALOX15ALDH1A1POLBNPSR1
SCHEMBL2975294 0.70 ALDH1A1 (0.35) ATMALOX15ALDH1A1POLBNPSR1
SCHEMBL3690265 0.70 ALDH1A1 (0.35) ATMALOX15ALDH1A1POLBNPSR1
SCHEMBL12463720 0.70 ALDH1A1 (0.35) ATMALOX15ALDH1A1POLBNPSR1
SCHEMBL1101673 0.70 ALDH1A1 (0.35) ATMALOX15ALDH1A1POLBNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120135441-A1 ENZYMES AND METHODS FOR RESOLVING AMINO VINYL CYCLOPROPANE CARBOXYLIC ACID DERIVATIVES DR. REDDY'S LABORATORIES, INC. (US) 2012-05-31 US disclosed
EP-2448912-A2 ENZYMES AND METHODS FOR RESOLVING AMINO VINYL CYCLOPROPANE CARBOXYLIC ACID DERIVATIVES Dr. Reddy's Laboratories, Ltd. (IN) 2012-05-09 EP disclosed
WO-2011003063-A2 ENZYMES AND METHODS FOR RESOLVING AMINO VINYL CYCLOPROPANE CARBOXYLIC ACID DERIVATIVES DR. REDDY'S LABORATORIES LTD. (IN) 2011-01-06 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-20120135441-A1 ENZYMES AND METHODS FOR RESOLVING AMINO VINYL CYCLOPROPANE CARBOXYLIC ACID DERIVATIVES APEH, ALAD, CES1 ATM 4646/4885ALOX15 348/4885ALDH1A1 480/4885

“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.