SCHEMBL824155

SCHEMBL824155

CC1CCC(c2cccc(N)c2O)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.43
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
MMP2 P08253 1/20 0.35
FEN1 P39748 5/20 0.34
ALOX5AP P20292 4/20 0.34
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
NOTUM Q6P988 1/20 0.33
PDK2 Q15119 1/20 0.32
PDK4 Q16654 1/20 0.32
HTR2C P28335 2/20 0.32
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
PIK3CA P42336 1/20 0.31
MCHR1 Q99705 1/20 0.31
ALDH1A1 P00352 2/20 0.31

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
SCHEMBL824149 0.81 FEN1 (0.46) MEN1GAAKMT2AMMP2FEN1
SCHEMBL8932238 0.81 MEN1 (0.47) ESR2MEN1USP2GAAKMT2A
Hydrochloric Acid SCHEMBL4969688 0.80 FEN1 (0.44) MEN1GAAKMT2AMMP2FEN1
SCHEMBL824207 0.79 HDAC3 (0.43) CYP3A4
SCHEMBL2048750 0.76 NOTUM (0.38) ESR2MMP2FEN1ALOX5APNOTUM
SCHEMBL28428015 0.73 ESR2 (0.48) ESR2MEN1KMT2AHTR2CCYP3A4
SCHEMBL5428628 0.73 ESR2 (0.48) ESR2MEN1KMT2AHTR2CCYP3A4
SCHEMBL23586997 0.71 NOS1 (0.37) MEN1USP2GAAKMT2AMMP2
SCHEMBL3786896 0.71 OPRL1 (0.37) PDK2PDK4HTR2CCYP3A4TSHR
SCHEMBL14452296 0.71 CYP3A4 (0.54) PDK2PDK4HTR2CCYP3A4TSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143287-B2 Thrombopoietin mimetics STATEGICS, INC. (US) 2012-03-27 US disclosed
US-8143287-B2 Thrombopoietin mimetics STATEGICS, INC. (US) 2012-03-27 US disclosed
US-20100323965-A1 Thrombopoietin Mimetics STATEGICS, INC. (US) 2010-12-23 US disclosed
US-20100323965-A1 Thrombopoietin Mimetics STATEGICS, INC. (US) 2010-12-23 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-20100323965-A1 Thrombopoietin Mimetics MPL, THPO, TEK ESR2 2032/4885MEN1 569/4885USP2 4209/4885

“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.