SCHEMBL20032371

SCHEMBL20032371

CCCC(CC)c1ccc(Cl)cc1-c1ccc(OCC)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.40
KMT2A Q03164 1/20 0.39
RORC P51449 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.38
TSHR P16473 4/20 0.38
RAB9A P51151 3/20 0.38
HPGD P15428 2/20 0.38
NPC1 O15118 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ERN1 O75460 1/20 0.37
MAPT P10636 3/20 0.37
AGPAT2 O15120 1/20 0.37
PTGS2 P35354 2/20 0.36
PTGS1 P23219 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TUBB4A P04350 2/20 0.35
TUBB P07437 2/20 0.35

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
SCHEMBL18713651 0.92 KCNH2 (0.43) KCNH2KMT2ARORCTSHRRAB9A
SCHEMBL20032145 0.88 CSNK2A1 (0.40) RORCSMN1; SMN2
SCHEMBL20032375 0.83 TRPV1 (0.36) ALDH1A1PTGS2PTGS1TP53
SCHEMBL21508081 0.83 KCNH2 (0.44) KCNH2KMT2ARORCTSHRRAB9A
SCHEMBL20032350 0.81 PTGS2 (0.34) KCNH2ALDH1A1PTGS2PTGS1TP53
SCHEMBL20032144 0.80 FNTA (0.41) KMT2ATSHRMAPTPTGS2TDP1
SCHEMBL20032482 0.80 TRPV1 (0.36) KCNH2CYP1A2
SCHEMBL18713568 0.80 CSNK2A1 (0.43) RORCSMN1; SMN2SLC9A1
SCHEMBL18713738 0.80 PTGS2 (0.41) KCNH2TSHRHPGDAGPAT2PTGS2
SCHEMBL20032372 0.79 AKR1C3 (0.39)

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-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2018-04-05 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-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A KCNH2 3159/4885KMT2A 1610/4885RORC 300/4885

“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.