SCHEMBL158683

SCHEMBL158683

CCCC(O)(CCC)c1cccs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.51
CHRM3 P20309 6/20 0.39
CNR1 P21554 3/20 0.36
CNR2 P34972 3/20 0.36
CHRM2 P08172 3/20 0.35
CHRM1 P11229 3/20 0.35
TSHR P16473 2/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
CHRM4 P08173 1/20 0.34
RGS12 O14924 1/20 0.33
ALDH1A1 P00352 3/20 0.33
HDAC3 O15379 1/20 0.33
MAPT P10636 1/20 0.33
KIF11 P52732 1/20 0.32
RIPK1 Q13546 1/20 0.32
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 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
SCHEMBL2560818 0.84 ESR1 (0.51) ESR1CHRM3CNR1CNR2CHRM2
SCHEMBL27754626 0.84 ESR1 (0.51) ESR1CHRM3CNR1CNR2CHRM2
SCHEMBL3389968 0.83 ESR1 (0.42) ESR1CHRM3CNR1CNR2CHRM2
SCHEMBL16847373 0.79 ESR1 (0.41) ESR1CHRM3CNR1CNR2CHRM2
SCHEMBL27275783 0.78 ESR1 (0.47) ESR1CHRM3CNR1CNR2CHRM2
SCHEMBL6682429 0.78 ESR1 (0.40) ESR1CHRM3CNR1CNR2CHRM2
SCHEMBL18949950 0.78 ESR1 (0.49) ESR1CHRM3CNR1CNR2TSHR
SCHEMBL19721711 0.78 ESR1 (0.49) ESR1CHRM3CNR1CNR2TSHR
SCHEMBL325231 0.78 ESR1 (0.49) ESR1CHRM3CNR1CNR2CHRM2
SCHEMBL11078447 0.77 ESR1 (0.46) ESR1CHRM3CHRM2CHRM1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2612376-B1 SEMICONDUCTING COMPOUNDS AND RELATED COMPOSITIONS AND DEVICES FLEXTERRA INC (US) 2018-11-21 EP disclosed
US-8598575-B2 Semiconducting compounds and related compositions and devices POLYERA CORPORATION (US) 2013-12-03 US disclosed
EP-2612376-A2 SEMICONDUCTING COMPOUNDS AND RELATED COMPOSITIONS AND DEVICES Polyera Corporation (US) 2013-07-10 EP disclosed
US-20130168659-A1 Semiconducting Compounds and Related Compositions and Devices POLYERA CORPORATION (US) 2013-07-04 US disclosed
WO-2012030662-A2 SEMICONDUCTING COMPOUNDS AND RELATED COMPOSITIONS AND DEVICES POLYERA CORPORATION (US) 2012-03-08 WO 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-20130168659-A1 Semiconducting Compounds and Related Compositions and Devices NES, TST, SLC19A2 ESR1 315/4885CHRM3 54/4885CNR1 2689/4885

“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.