SCHEMBL10242875

SCHEMBL10242875

CCCO[C@H]1CC=C(C(=O)O)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
LMNA P02545 1/20 0.46
CES2 O00748 1/20 0.46
TAAR1 Q96RJ0 1/20 0.38
GABRR1 P24046 2/20 0.35
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
GABRA4 P48169 1/20 0.32
GABRE P78334 1/20 0.32
GABRA6 Q16445 1/20 0.32
GABRG1 Q8N1C3 1/20 0.32
GABRG3 Q99928 1/20 0.32

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
SCHEMBL10242189 1.00 TSHR (0.46) TSHRLMNACES2TAAR1GABRR1
SCHEMBL10243284 0.85 CHRM3 (0.33) TSHRLMNACES2TAAR1GABRR1
SCHEMBL15692077 0.74 TSHR (0.36) TSHRLMNACES2
SCHEMBL10242310 0.73
SCHEMBL13267859 0.73
SCHEMBL3220730 0.70 TSHR (0.47) TSHRLMNACES2GABRR1GABRP
SCHEMBL15692045 0.70 LMNA (0.33) TSHRLMNACES2
SCHEMBL11340760 0.69 TSHR (0.58) TSHRLMNACES2
SCHEMBL13745963 0.69 CES2 (0.58) TSHRLMNACES2GABRR1GABRP
SCHEMBL2874581 0.69 CES2 (0.58) TSHRLMNACES2GABRR1GABRP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120041027-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED 2012-02-16 US disclosed
US-20100190825-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE COOPER DAVID GWYN 2010-07-29 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 (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-20100190825-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE CHRM1, CHRM2, CHRM4 TSHR 449/4885LMNA 3499/4885CES2 1381/4885
US-20120041027-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE CHRM1, CHRM2, CHRM4 TSHR 470/4885LMNA 3123/4885CES2 728/4885

“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.