SCHEMBL20647155

SCHEMBL20647155

CC(C)c1cccc(OCCCN)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.60
▸ TSHR P16473 2/20 0.60
▸ ALDH1A1 P00352 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ KIF11 P52732 1/20 0.48
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ PTGES O14684 1/20 0.46
▸ ALOX5 P09917 1/20 0.46
▸ PPARG P37231 1/20 0.46
▸ PPARA Q07869 1/20 0.46
▸ NOS3 P29474 1/20 0.46
▸ NOS1 P29475 1/20 0.46
▸ NOS2 P35228 1/20 0.46
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ RECQL P46063 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
SCHEMBL4854291 0.91 KDM4E (0.62) KDM4ETSHRALDH1A1LMNASMN1; SMN2
SCHEMBL23889177 0.85 KDM4E (0.49) KDM4ETSHRALDH1A1LMNASMN1; SMN2
SCHEMBL18353918 0.84 KDM4E (0.62) KDM4ETSHRALDH1A1LMNASMN1; SMN2
SCHEMBL12652785 0.84 KDM4E (0.67) KDM4ETSHRALDH1A1LMNASMN1; SMN2
SCHEMBL5487543 0.84 ACHE (0.51) KDM4ETSHRALDH1A1LMNASMN1; SMN2
SCHEMBL13251244 0.83 KDM4E (0.60) KDM4ETSHRALDH1A1LMNASMN1; SMN2
SCHEMBL10224231 0.83 KDM4E (0.60) KDM4ETSHRALDH1A1LMNASMN1; SMN2
SCHEMBL17905720 0.83 KDM4E (0.65) KDM4ETSHRALDH1A1LMNASMN1; SMN2
SCHEMBL5018851 0.82 KDM4E (0.69) KDM4ETSHRALDH1A1LMNASMN1; SMN2
SCHEMBL24675507 0.82 TSHR (0.46) KDM4ETSHRALDH1A1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024044778-A2 NOVEL MODULATORS OF FSHR AND USES THEREOF CELMATIX INC. (US) 2024-02-29 — — WO disclosed
US-10611776-B2 Spiroheptane salicylamides and related compounds as inhibitors of rock BRISTOL-MYERS SQUIBB COMPANY (US) 2020-04-07 — — US disclosed
EP-2389352-B1 ARGINASE INHIBITORS AND METHODS OF USE UNIV PENNSYLVANIA (US) 2019-05-08 — — EP disclosed
US-20190016735-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2019-01-17 — — 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-20190016735-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK ROCK1, MYLK, RHOA KDM4E 2298/4885TSHR 2885/4885ALDH1A1 892/4885
US-10611776-B2 Spiroheptane salicylamides and related compounds as inhibitors of rock ROCK1, MYLK, RHOA KDM4E 2298/4885TSHR 2885/4885ALDH1A1 892/4885

“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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