SCHEMBL252170

SCHEMBL252170

CN(c1ccc(Cl)cc1)c1ccc(C(=O)c2cc(C(=O)O)cc(N(CC3CCCCO3)c3ccccc3)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTC4S Q16873 5/20 0.41
OXTR P30559 4/20 0.40
TP53 P04637 3/20 0.39
ALDH1A1 P00352 3/20 0.38
POLB P06746 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MAPT P10636 1/20 0.37
AVPR2 P30518 1/20 0.37
AVPR1A P37288 1/20 0.37
AVPR1B P47901 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL2743201 0.87 LTC4S (0.41) LTC4S
SCHEMBL233207 0.87 LTC4S (0.57) LTC4S
SCHEMBL2743202 0.85 LTC4S (0.49) LTC4S
SCHEMBL13155515 0.84 OXTR (0.36) LTC4SOXTRTP53ALDH1A1POLB
SCHEMBL2743193 0.80 LMNA (0.44) LTC4SNPC1RAB9AHPGD
SCHEMBL230136 0.78 SRD5A2 (0.51) LTC4SALDH1A1TSHRNPC1RAB9A
SCHEMBL2743205 0.77 LMNA (0.42) LTC4SALDH1A1NPC1RAB9AHPGD
SCHEMBL2743199 0.77 LMNA (0.39) LTC4S
SCHEMBL2743206 0.76 LTC4S (0.49) LTC4S
SCHEMBL2743200 0.75 LMNA (0.43) LTC4SALDH1A1NPC1RAB9AHPGD

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-20120004228-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors BIOLIPOX AB (SW) 2012-01-05 US disclosed
US-20120004228-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors BIOLIPOX AB (SW) 2012-01-05 US disclosed
US-20120004228-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors BIOLIPOX AB (SW) 2012-01-05 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-20120004228-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors LTC4S, LTB4R2, LTB4R LTC4S 1/4885OXTR 2338/4885TP53 2884/4885

“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.