SCHEMBL19984512

SCHEMBL19984512

COc1cc(C)c(Cl)cc1C(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.59
POLB P06746 2/20 0.59
GFER P55789 1/20 0.59
LMNA P02545 4/20 0.55
ALDH1A1 P00352 4/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
TSHR P16473 3/20 0.45
GLA P06280 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 2/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RAB9A P51151 1/20 0.42
P2RX3 P56373 3/20 0.40
P2RX2 Q9UBL9 3/20 0.40
THRB P10828 1/20 0.40
RORC P51449 1/20 0.40
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL12781815 0.92 POLB (0.55) GAAPOLBGFERLMNAALDH1A1
SCHEMBL12781816 0.83 GAA (0.52) GAAPOLBGFERLMNAALDH1A1
SCHEMBL738874 0.83 GAA (0.48) GAAPOLBGFERLMNAALDH1A1
SCHEMBL6852792 0.83 POLB (0.68) GAAPOLBGFERLMNAALDH1A1
Thymoquinol Dimethylether SCHEMBL12613923 0.81 POLB (0.66) GAAPOLBGFERLMNAALDH1A1
SCHEMBL14295929 0.81 POLB (0.66) GAAPOLBGFERLMNAALDH1A1
SCHEMBL12129212 0.81 TSHR (0.52) GAAPOLBGFERLMNAALDH1A1
SCHEMBL18751316 0.78 GAA (0.44) GAAPOLBGFERLMNAALDH1A1
SCHEMBL13124768 0.78 NPC1 (0.62) GAAPOLBGFERALDH1A1KMT2A
SCHEMBL29587813 0.78 GLA (0.53) GAAPOLBLMNAALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11040954-B1 CXCR3 receptor agonists RECEPTOS LLC (US) 2021-06-22 US disclosed
US-20190345133-A1 CXCR3 RECEPTOR AGONISTS RECEPTOS LLC 2019-11-14 US disclosed
EP-2928889-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2018-03-21 EP 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-11040954-B1 CXCR3 receptor agonists CXCR3, CXCR1, CCR7 GAA 4863/4885POLB 2573/4885GFER 3516/4885
US-20190345133-A1 CXCR3 RECEPTOR AGONISTS CXCR3, CXCR1, CCR7 GAA 4863/4885POLB 2573/4885GFER 3516/4885

“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.