SCHEMBL21678069

SCHEMBL21678069

CCN(C(C)=O)c1cc(O)ccc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BAZ2B Q9UIF8 1/20 0.43
▸ CYP3A4 P08684 3/20 0.40
▸ TSHR P16473 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ RECQL P46063 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.38
▸ CA12 O43570 2/20 0.37
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ CA7 P43166 2/20 0.37
▸ CA9 Q16790 2/20 0.37
▸ CA14 Q9ULX7 2/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HSP90AB1 P08238 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ HSD17B1 P14061 1/20 0.36

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
SCHEMBL29940658 0.84 MAPT (0.47) CYP3A4TSHRLMNANPSR1MEN1
SCHEMBL7723689 0.77 LMNA (0.63) CYP3A4TSHRLMNANPSR1MEN1
SCHEMBL11316146 0.76 ALDH1A1 (0.47) BAZ2BCYP3A4TSHRLMNARECQL
SCHEMBL28305611 0.74 CYP3A4 (0.44) BAZ2BCYP3A4TSHRLMNARECQL
SCHEMBL11580641 0.73 HPGD (0.40) BAZ2BCYP3A4TSHRLMNARECQL
SCHEMBL14115709 0.73 SMN1; SMN2 (0.41) CYP3A4TSHRLMNANPSR1MEN1
SCHEMBL10926482 0.72 ALDH1A1 (0.48) CYP3A4TSHRLMNACA12CA1
SCHEMBL11353310 0.71 PDE10A (0.40) CYP3A4TSHRLMNANPSR1MEN1
SCHEMBL11672356 0.71 ACHE (0.46) BAZ2BCYP3A4TSHRLMNARECQL
SCHEMBL21185147 0.69 CYP3A4 (0.43) CYP3A4TSHRRECQLMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11492359-B2 Near-infrared nerve-sparing fluorophores OREGON HEALTH & SCIENCE UNIVERSITY (US) 2022-11-08 — — US disclosed
US-20210317137-A1 NEAR-INFRARED NERVE-SPARING FLUOROPHORES OREGON HEALTH & SCIENCE UNIVERSITY (US) 2021-10-14 — — US disclosed
US-20210317137-A1 NEAR-INFRARED NERVE-SPARING FLUOROPHORES OREGON HEALTH & SCIENCE UNIVERSITY (US) 2021-10-14 — — US disclosed
US-20210236657-A1 NERVE-SPECIFIC FLUOROPHORE FORMULATIONS FOR DIRECT AND SYSTEMIC ADMINISTRATION OREGON HEALTH & SCIENCE UNIVERSITY (US) 2021-08-05 — — US disclosed
US-20210236657-A1 NERVE-SPECIFIC FLUOROPHORE FORMULATIONS FOR DIRECT AND SYSTEMIC ADMINISTRATION OREGON HEALTH & SCIENCE UNIVERSITY (US) 2021-08-05 — — US disclosed
WO-2020033435-A1 NERVE-SPECIFIC FLUOROPHORE FORMULATIONS FOR DIRECT AND SYSTEMIC ADMINISTRATION OREGON HEALTH & SCIENCE UNIVERSITY (US) 2020-02-13 — — WO disclosed
WO-2020023911-A2 NEAR-INFRARED NERVE-SPARING FLUOROPHORES OREGON HEALTH & SCIENCE UNIVERSITY (US) 2020-01-30 — — 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 (3 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-11492359-B2 Near-infrared nerve-sparing fluorophores NTRK1, PMP22, GAP43 BAZ2B 1315/4885CYP3A4 2725/4885TSHR 1764/4885
US-20210236657-A1 NERVE-SPECIFIC FLUOROPHORE FORMULATIONS FOR DIRECT AND SYSTEMIC ADMINISTRATION PFAS, NPFFR2, NPFFR1 BAZ2B 4831/4885CYP3A4 1609/4885TSHR 2396/4885
US-20210317137-A1 NEAR-INFRARED NERVE-SPARING FLUOROPHORES NTRK1, NGF, SMN1; SMN2 BAZ2B 3613/4885CYP3A4 4616/4885TSHR 1053/4885

“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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