SCHEMBL22019566

SCHEMBL22019566

CCc1cc(F)c(C(C)C)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.50
P2RX3 P56373 3/20 0.47
P2RX2 Q9UBL9 3/20 0.47
HTR2A P28223 2/20 0.37
CETP P11597 1/20 0.36
STING1 Q86WV6 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
GFER P55789 1/20 0.35

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
SCHEMBL9886089 0.93 TAAR1 (0.50) TAAR1P2RX3P2RX2HTR2ACETP
SCHEMBL17862081 0.83 TAAR1 (0.59) TAAR1P2RX3P2RX2HTR2APOLB
SCHEMBL9886097 0.81 TAAR1 (0.59) TAAR1HTR2A
SCHEMBL5166833 0.81 P2RX3 (0.45) P2RX3P2RX2HTR2ACETPPOLB
SCHEMBL13351579 0.79 TAAR1 (0.55) TAAR1P2RX3P2RX2HTR2ASTING1
SCHEMBL14404558 0.79 DPP4 (0.38)
SCHEMBL21142303 0.79 GAA (0.48) P2RX3P2RX2POLBGAAGFER
SCHEMBL7720458 0.79 TAAR1 (0.62) TAAR1HTR2A
SCHEMBL13085628 0.79 P2RX3 (0.43) P2RX3P2RX2HTR2AGAA
SCHEMBL23731995 0.79 TAAR1 (0.42) TAAR1P2RX3P2RX2POLBGAA

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-20220175754-A1 P97 INHIBITORS FOR TREATING CANCER AND NEURODEGENERATIVE DISORDERS LUNDQUIST INST FOR BIOMEDICAL INNOVATION AT HARBOR UCLA MEDICAL CENTER (US) 2022-06-09 US disclosed
US-20200155536-A1 P97 INHIBITORS FOR TREATING CANCER AND NEURODEGENERATIVE DISORDERS LOS ANGELES BIOMEDICAL RESEARCH INSTITUTE AT HARBOR-UCLA MEDICAL CENTER 2020-05-21 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-20200155536-A1 P97 INHIBITORS FOR TREATING CANCER AND NEURODEGENERATIVE DISORDERS PML, TARDBP, PRNP TAAR1 4083/4885P2RX3 3763/4885P2RX2 3901/4885
US-20220175754-A1 P97 INHIBITORS FOR TREATING CANCER AND NEURODEGENERATIVE DISORDERS PML, TARDBP, PRNP TAAR1 4083/4885P2RX3 3763/4885P2RX2 3901/4885

“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.