SCHEMBL13622158

SCHEMBL13622158

O=C(O)c1cc(CO)ccc1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
TP53 P04637 2/20 0.59
MRGPRX4 Q96LA9 2/20 0.54
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
MAPT P10636 2/20 0.50
KDM4E B2RXH2 2/20 0.50
POLB P06746 2/20 0.50
LMNA P02545 1/20 0.49
PRKAB2 O43741 1/20 0.48
PRKAG1 P54619 1/20 0.48
PRKAA2 P54646 1/20 0.48
PRKAA1 Q13131 1/20 0.48
PRKAG3 Q9UGI9 1/20 0.48
PRKAG2 Q9UGJ0 1/20 0.48
PRKAB1 Q9Y478 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
HPGD P15428 1/20 0.47
CA12 O43570 1/20 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
SCHEMBL664212 0.85 ALDH1A1 (0.55) ALDH1A1TP53MRGPRX4NPC1RAB9A
SCHEMBL543139 0.84 SMN1; SMN2 (0.59) ALDH1A1TP53NPC1RAB9AMAPT
SCHEMBL30463143 0.84 SMN1; SMN2 (0.59) ALDH1A1TP53NPC1RAB9AMAPT
SCHEMBL19443060 0.82 ALDH1A1 (0.57) ALDH1A1TP53MRGPRX4NPC1RAB9A
SCHEMBL1245996 0.82 CA2 (0.59) ALDH1A1TP53MRGPRX4NPC1RAB9A
SCHEMBL30402090 0.82 CYP4F2 (0.61) ALDH1A1TP53MRGPRX4NPC1RAB9A
SCHEMBL5113001 0.82 FOLH1 (0.57) ALDH1A1TP53MRGPRX4NPC1RAB9A
SCHEMBL844419 0.82 CYP4F2 (0.61) ALDH1A1TP53MRGPRX4NPC1RAB9A
SCHEMBL1671897 0.82 ALDH1A1 (0.57) ALDH1A1TP53MRGPRX4NPC1RAB9A
SCHEMBL2892390 0.82 ALDH1A1 (0.47) ALDH1A1TP53MRGPRX4NPC1RAB9A

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-7622612-B2 Tricyclic derivatives and their use CHEMTECH RESEARCH INCORPORATION (KR) 2009-11-24 US disclosed
US-7622612-B2 Tricyclic derivatives and their use CHEMTECH RESEARCH INCORPORATION (KR) 2009-11-24 US disclosed
US-20070021427-A1 Novel tricyclic derivatives and their use CHEMTECH RESEARCH INCORPORATION (KR) 2007-01-25 US disclosed
US-20070021427-A1 Novel tricyclic derivatives and their use CHEMTECH RESEARCH INCORPORATION (KR) 2007-01-25 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-20070021427-A1 Novel tricyclic derivatives and their use NFATC1, IL2, CCL2 ALDH1A1 2078/4885TP53 132/4885MRGPRX4 730/4885

“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.