SCHEMBL2083091

SCHEMBL2083091

CC1(C)CCC(C(=O)O)C(=O)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.39
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 2/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
APLNR P35414 1/20 0.35
GRM8 O00222 1/20 0.33
GRM6 O15303 1/20 0.33
GRM2 Q14416 1/20 0.33
GRM3 Q14832 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
KMT2A Q03164 2/20 0.32
HTT P42858 2/20 0.32
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
RECQL P46063 1/20 0.31
SLC1A2 P43004 2/20 0.31
SLC1A1 P43005 2/20 0.31
HIF1A Q16665 1/20 0.30
FFAR3 O14843 1/20 0.30

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
SCHEMBL30587758 0.85 MAPT (0.37) MAPTALDH1A1KDM4EPOLBTSHR
SCHEMBL523318 0.79 MAPT (0.41) MAPTALDH1A1KDM4EPOLBTSHR
SCHEMBL16322053 0.79 ALDH1A1 (0.46) MAPTALDH1A1KDM4EPOLBTSHR
Acetic Acid SCHEMBL28452088 0.79 MAPT (0.38) MAPTALDH1A1KDM4EPOLBTSHR
SCHEMBL18105691 0.78 MAPT (0.36) MAPTALDH1A1KDM4EPOLBTSHR
SCHEMBL6510812 0.76 GRM8 (0.31) GRM8GRM6GRM2GRM3
SCHEMBL855129 0.75 ALDH1A1 (0.45) MAPTALDH1A1KDM4EPOLBTSHR
SCHEMBL6505565 0.74 GRM8 (0.33) GRM8GRM6GRM2GRM3
SCHEMBL8675518 0.74 MAPT (0.43) MAPTALDH1A1KDM4EPOLBTSHR
SCHEMBL6502942 0.73 GRM5 (0.34) GRM8GRM6GRM2GRM3HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7906505-B2 Apoptosis promoters ABBOTT LABORATORIES (US) 2011-03-15 US disclosed
US-20100249133-A1 APOPTOSIS PROMOTERS Abbott Laboraoties 2010-09-30 US disclosed
US-7375102-B2 Tetrahydroquinazolin-4(3H)-one-related and tetrahydropyrido[2,3-D]pyrimidin-4(3H)-one-related compounds, compositions and methods for their use AMGEN SF, LLC (US) 2008-05-20 US disclosed
EP-1765818-A1 TETRAHYDROQUINAZOLIN-4(3H)-ONE-RELATED AND TETRAHYDROPYRIDO[2,3-D]PYRIMIDIN-4(3H)-ONE-RELATED COMPOUNDS, COMPOSITIONS AND METHODS FOR THEIR USE Amgen SF LLC (US) 2007-03-28 EP disclosed
US-20060069106-A1 Tetrahydroquinazolin-4(3H)-one-related and tetrahydropyrido[2,3-D]pyrimidin-4(3H)-one-related compounds, compositions and methods for their use AMGEN SF, LLC 2006-03-30 US disclosed
WO-2006004925-A1 TETRAHYDROQUINAZOLIN-4(3H)-ONE-RELATED AND TETRAHYDROPYRIDO[2,3-D]PYRIMIDIN-4(3H)-ONE-RELATED COMPOUNDS, COMPOSITIONS AND METHODS FOR THEIR USE AMGEN SF, LLC (US) 2006-01-12 WO disclosed
CN-1059072-A Contain the plant protection preparation of different  azoles quinoline or isothiazoline and new different  azoles quinoline class and isothiazoline compounds HOECHST AG (DE) 1992-03-04 CN 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 (2 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-20100249133-A1 APOPTOSIS PROMOTERS BAX, API5, BCL2 MAPT 4226/4885ALDH1A1 3367/4885KDM4E 3431/4885
US-20060069106-A1 Tetrahydroquinazolin-4(3H)-one-related and tetrahydropyrido[2,3-D]pyrimidin-4(3H)-one-related compounds, compositions and methods for their use IFNG, IRF3, TBXA2R MAPT 2881/4885ALDH1A1 1182/4885KDM4E 1924/4885

“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.