SCHEMBL16303447

SCHEMBL16303447

COc1ccc2c(c1)CC(C)CO2

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 3/20 0.58
▸ TP53 P04637 4/20 0.50
▸ LMNA P02545 3/20 0.50
▸ ALOX15 P16050 1/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ POLB P06746 2/20 0.46
▸ MAPT P10636 2/20 0.45
▸ HRH3 Q9Y5N1 1/20 0.45
▸ ROCK2 O75116 1/20 0.43
▸ GABRA1 P14867 1/20 0.43
▸ GABRB2 P47870 1/20 0.43

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
SCHEMBL31525729 0.87 ALOX15 (0.47) MTNR1AALOX15ALOX12MAPT
SCHEMBL24090453 0.87 ALOX15 (0.47) MTNR1AALOX15ALOX12MAPT
SCHEMBL9082928 0.82 MTNR1A (0.57) MTNR1ATP53LMNAALOX15ALOX12
SCHEMBL16303414 0.82 MTNR1A (0.57) MTNR1ATP53LMNAALOX15ALOX12
Hydrochloric Acid SCHEMBL10780018 0.81 MTNR1A (0.56) MTNR1ATP53LMNAALOX15ALOX12
SCHEMBL8394382 0.80 MTNR1A (0.69) MTNR1ATP53LMNAALOX15ALOX12
SCHEMBL19750357 0.80 MTNR1A (0.54) MTNR1ATP53LMNAALOX15ALOX12
SCHEMBL8394385 0.80 MTNR1A (0.69) MTNR1ATP53LMNAALOX15ALOX12
SCHEMBL17888019 0.80 MTNR1A (0.64) MTNR1ATP53LMNAALOX15ALOX12
SCHEMBL8394384 0.80 MTNR1A (0.69) MTNR1ATP53LMNAALOX15ALOX12

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-9850276-B2 Bidentate-binding modulators of LRRK2 and JNK kinases THE SCRIPPS RESEARCH INSTITUTE (US) 2017-12-26 — — US disclosed
US-20160185818-A1 BIDENTATE-BINDING MODULATORS OF LRRK2 AND JNK KINASES UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2016-06-30 — — US disclosed
WO-2014200682-A1 BIDENTATE-BINDING MODULATORS OF LRRK2 AND JNK KINASES THE SCRIPPS RESEARCH INSTITUTE (US) 2014-12-18 — — 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-20160185818-A1 BIDENTATE-BINDING MODULATORS OF LRRK2 AND JNK KINASES LRRK2, PINK1, MAP2K3 MTNR1A 1721/4885TP53 1723/4885LMNA 3258/4885

“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.

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