SCHEMBL21164367

SCHEMBL21164367

CCCC(CC)c1ccc(C)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
AKR1C3 P42330 3/20 0.37
AKR1C2 P52895 3/20 0.37
SHBG P04278 1/20 0.37
TP53 P04637 1/20 0.36
AKR1B10 O60218 1/20 0.36
AKR1C4 P17516 1/20 0.36
AKR1C1 Q04828 1/20 0.36
ALDH1A1 P00352 6/20 0.36
POLB P06746 2/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
HTT P42858 1/20 0.33
NR1I2 O75469 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33

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
SCHEMBL13953554 0.93 LMNA (0.40) LMNAKMT2AMEN1AKR1C3AKR1C2
SCHEMBL18713942 0.89 LMNA (0.42) LMNAKMT2AMEN1AKR1C3AKR1C2
SCHEMBL21466596 0.86 ESR1 (0.35) AKR1C3AKR1C2SHBGESR1ESR2
SCHEMBL19853074 0.85 SHBG (0.39) AKR1C3AKR1C2SHBGESR1ESR2
SCHEMBL20226551 0.81 ALDH1A1 (0.39) SHBGALDH1A1ESR1ESR2NR1I2
SCHEMBL21164523 0.81 SLC6A4 (0.36) SHBGESR1ESR2
SCHEMBL25686648 0.80 AKR1C3 (0.41) LMNAKMT2AMEN1AKR1C3AKR1C2
SCHEMBL5457863 0.79 LMNA (0.39) LMNAKMT2AMEN1AKR1C3AKR1C2
SCHEMBL20459002 0.79 CYP3A4 (0.38) ALDH1A1ESR1ESR2NR1I2
SCHEMBL20921361 0.78 TAS1R3 (0.48) LMNAKMT2AMEN1HTT

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-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ROIVANT SCIENCES GMBH (CH) 2019-07-16 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-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A LMNA 2851/4885KMT2A 1610/4885MEN1 629/4885

“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.