SCHEMBL3039441

SCHEMBL3039441

COc1ccc(Sc2cc(C(=O)O)cc(C(=O)c3ccc(N(C)c4ccc(C)cc4)cc3)c2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
MAPT P10636 3/20 0.46
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA7 P43166 1/20 0.43
TPMT P51580 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
TSHR P16473 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ACHE P22303 5/20 0.40
BCHE P06276 3/20 0.40
CTNNB1 P35222 1/20 0.40
WNT3A P56704 1/20 0.40

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
SCHEMBL233511 0.91 LMNA (0.47) ALDH1A1MAPTCA12CA1CA2
SCHEMBL2743210 0.85 LTC4S (0.41) MAPTSRD5A2SMN1; SMN2LMNAKMT2A
SCHEMBL232053 0.75 LTC4S (0.47) ALDH1A1MAPTSMN1; SMN2MAPK1LMNA
SCHEMBL231095 0.74 LTC4S (0.42) MAPTTSHRSRD5A2SMN1; SMN2LMNA
SCHEMBL2743209 0.73 LMNA (0.46) ALDH1A1MAPTTSHRSRD5A2SMN1; SMN2
SCHEMBL233590 0.73 SRD5A2 (0.42) MAPTSRD5A2SMN1; SMN2LMNALTC4S
SCHEMBL2743191 0.72 MEN1 (0.44) ALDH1A1MAPTCA12CA1CA2
SCHEMBL232051 0.71 USP2 (0.53) ALDH1A1MAPTGAASMN1; SMN2MAPK1
SCHEMBL5074372 0.70 CYP1A2 (0.81) ALDH1A1MAPTCA12CA1CA2
SCHEMBL8736884 0.70 ACHE (0.59) ALDH1A1MAPTCA12CA1CA2

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 1 patent. 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

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 ALDH1A1 453/4885MAPT 4117/4885CA12 4703/4885

“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.