SCHEMBL5652792

SCHEMBL5652792

CC(=O)CCc1c[nH]c2[c]cccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.55
HTT P42858 1/20 0.55
IKBKB O14920 1/20 0.44
GLA P06280 1/20 0.41
IAPP P10997 1/20 0.41
ALDH1A1 P00352 4/20 0.40
MAPT P10636 4/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.40
BLM P54132 1/20 0.40
GAA P10253 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
MPO P05164 2/20 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
SCHEMBL27631244 0.79 HTR2C (0.44) HTTALDH1A1CYP1A2CYP2C19CYP3A4
SCHEMBL1250315 0.76 MAPT (0.66) SMN1; SMN2HTTGLAALDH1A1MAPT
SCHEMBL29611317 0.76 MAPT (0.66) SMN1; SMN2HTTGLAALDH1A1MAPT
SCHEMBL28753609 0.71 AHR (0.32) MAPTMEN1KMT2ACYP3A4
SCHEMBL6015904 0.71 ALDH1A1 (0.57) SMN1; SMN2HTTALDH1A1MAPTCYP2C19
SCHEMBL10344942 0.71 ALDH1A1 (0.68) SMN1; SMN2ALDH1A1MAPTCYP1A2CYP2C19
SCHEMBL6015984 0.69 ALDH1A1 (0.59) HTTALDH1A1MAPTCYP2C19MEN1
SCHEMBL3871239 0.68 ATM (0.54) ALDH1A1MAPTKMT2ATSHRKDM4E
SCHEMBL6015920 0.68 ALDH1A1 (0.39) SMN1; SMN2HTTALDH1A1MAPTCYP1A2
SCHEMBL5497510 0.68 ATM (0.47) CYP1A2

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-20070254917-A1 INTRACELLULAR RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INC. 2007-11-01 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-20070254917-A1 INTRACELLULAR RECEPTOR MODULATOR COMPOUNDS AND METHODS CASR, GRK2, RYR2 SMN1; SMN2 4292/4885HTT 2408/4885IKBKB 490/4885

“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.