SCHEMBL450334

SCHEMBL450334

CC(C)(CC(=O)O)Cc1ccc(Br)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 7/20 0.53
MME P08473 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 2/20 0.41
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
BLM P54132 1/20 0.40
KDM4E B2RXH2 1/20 0.39
FFAR1 O14842 1/20 0.39
CPT2 P23786 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL446707 0.85 TBXA2R (0.44) TBXA2RMMEMEN1KMT2ALMNA
SCHEMBL6809133 0.83 BLM (0.58) TBXA2RMEN1KMT2ACYP2C19HIF1A
SCHEMBL473504 0.82 CYP2C19 (0.53) TBXA2RLMNACYP2C19HIF1AKDM4E
SCHEMBL447459 0.82 CYP2C19 (0.50) TBXA2RMMEMEN1KMT2ALMNA
SCHEMBL8834986 0.82 FFAR1 (0.43) TBXA2RMMEMEN1KMT2ALMNA
SCHEMBL8834980 0.82 SLC13A5 (0.49) TBXA2RMMEFFAR1CPT2TDP1
SCHEMBL17590423 0.81 TBXA2R (0.54) TBXA2RLMNACYP2C19
SCHEMBL29922059 0.80 RIPK1 (0.47) TBXA2RFFAR1
SCHEMBL11827472 0.80 TBXA2R (0.44) TBXA2RMMEMEN1KMT2ALMNA
SCHEMBL30338274 0.80 TAAR1 (0.43) LMNAALDH1A1

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-20120065195-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. 2012-03-15 US disclosed
WO-2011123674-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2011-10-06 WO disclosed
US-4800212-A Pyrrolidone-2 compounds and anti-hypertensive use thereof BEECHAM GROUP P.L.C. (GB) 1989-01-24 US disclosed
EP-0168619-B1 N-ACYLATED DI- OR TETRAHYDRONAPHTHALENAMINES, AND ANTIHYPERTENSIVE COMPOSITIONS CONTAINING THEM BEECHAM GROUP PLC (GB) 1988-08-24 EP disclosed
EP-0168619-A1 N-acylated di- or tetrahydronaphthalenamines, and antihypertensive compositions containing them BEECHAM GROUP PLC (GB) 1986-01-22 EP 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-20120065195-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES APP, BACE1, PSEN1 TBXA2R 3092/4885MME 50/4885MEN1 1819/4885

“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.