SCHEMBL6836721

SCHEMBL6836721

C/C(=C\C(=O)Cl)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DEGS1 O15121 1/20 0.50
CES2 O00748 3/20 0.46
CES1 P23141 3/20 0.46
KDM1A O60341 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
NFE2L2 Q16236 1/20 0.43
NR4A1 P22736 1/20 0.43
NR4A2 P43354 1/20 0.43
NR4A3 Q92570 1/20 0.43
ALDH1A1 P00352 3/20 0.42
TSHR P16473 3/20 0.42
DAO P14920 1/20 0.42
NAPRT Q6XQN6 1/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42

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
SCHEMBL1140287 1.00 DEGS1 (0.50) DEGS1CES2CES1KDM1ASMN1; SMN2
SCHEMBL3214722 0.90 DEGS1 (0.46) DEGS1CES2CES1KDM1ASMN1; SMN2
SCHEMBL11241457 0.88 SMN1; SMN2 (0.57) SMN1; SMN2LMNAHPGDALDH1A1GSK3B
SCHEMBL11241460 0.88 SMN1; SMN2 (0.57) SMN1; SMN2LMNAHPGDALDH1A1GSK3B
SCHEMBL566351 0.82 DEGS1 (0.53) DEGS1CES2CES1KDM1ASMN1; SMN2
SCHEMBL566350 0.82 DEGS1 (0.53) DEGS1CES2CES1KDM1ASMN1; SMN2
SCHEMBL1536443 0.82 NR4A2 (0.60) DEGS1CES2CES1KDM1ASMN1; SMN2
SCHEMBL691911 0.82 NR4A2 (0.60) DEGS1CES2CES1KDM1ASMN1; SMN2
SCHEMBL31421722 0.82 DEGS1 (0.53) DEGS1CES2CES1KDM1ASMN1; SMN2
SCHEMBL582234 0.82 NR4A2 (0.60) DEGS1CES2CES1KDM1ASMN1; SMN2

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
US-6713482-B2 SUCH AS (E)-1-(2-PYRIDYL)-2-STYRYL-1H-BENZIMIDAZOLE; ANTIINFLAMMATORY AND ANALGESIC AGENTS; PROSTAGLANDIN INHIBITORS PFIZER INC. 2004-03-30 US disclosed
US-20030013886-A1 Benzimidazole cyclooxygenase-2 inhibitors OKUMURA YOSHIYUKI (JP) 2003-01-16 US disclosed
EP-0937722-B1 Benzimidazole derivatives as cyclooxygenase-2 inhibitors PFIZER (US) 2002-07-03 EP disclosed
US-6310079-B1 NON-STEROIDAL ANTIINFLAMMATORY AGENTS PFIZER INC. 2001-10-30 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-20030013886-A1 Benzimidazole cyclooxygenase-2 inhibitors PTGS1, CBR1, CBR3 DEGS1 874/4885CES2 598/4885CES1 95/4885

“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.