SCHEMBL18069237

SCHEMBL18069237

CCc1ccccc1/C=C/C(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.53
▸ HTT P42858 1/20 0.53
▸ NR1I2 O75469 1/20 0.53
▸ PGR P06401 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ ADORA3 P0DMS8 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ SLC6A2 P23975 1/20 0.53
▸ TBXAS1 P24557 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ DRD3 P35462 1/20 0.53
▸ OPRK1 P41145 1/20 0.53
▸ PDE4D Q08499 1/20 0.53
▸ KCNH2 Q12809 1/20 0.53
▸ BACE1 P56817 1/20 0.41
▸ PTGER3 P43115 4/20 0.40
▸ PTGER2 P43116 4/20 0.40
▸ PTGER4 P35408 3/20 0.40
▸ NFE2L2 Q16236 2/20 0.40
▸ MAOB P27338 3/20 0.39

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
SCHEMBL30782971 1.00 LMNA (0.53) LMNAHTTNR1I2PGRCYP3A4
SCHEMBL5474595 0.87 LMNA (0.53) LMNAHTTNR1I2PGRCYP3A4
SCHEMBL5474591 0.87 LMNA (0.53) LMNAHTTNR1I2PGRCYP3A4
SCHEMBL20920563 0.87 LMNA (0.50) LMNAHTTNR1I2PGRCYP3A4
SCHEMBL28354000 0.85 PTGER3 (0.53) LMNAHTTNR1I2PGRCYP3A4
SCHEMBL9559968 0.85 THRA (0.48) LMNAHTTNR1I2PGRCYP3A4
SCHEMBL15259711 0.85 LMNA (0.55) LMNAHTTNR1I2PGRCYP3A4
SCHEMBL9559967 0.85 THRA (0.48) LMNAHTTNR1I2PGRCYP3A4
SCHEMBL7110907 0.84 LMNA (0.46) LMNAHTTNR1I2PGRCYP3A4
SCHEMBL23384606 0.82 LMNA (0.41) LMNAHTTNR1I2PGRCYP3A4

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-20180044282-A1 ALPHA-CINNAMIDE COMPOUNDS AND COMPOSITIONS AS HDAC8 INHIBITORS VALO EARLY DISCOVERY, INC. 2018-02-15 — — US disclosed
US-9745253-B2 Alpha-cinnamide compounds and compositions as HDAC8 inhibitors FORMA THERAPEUTICS, INC. (US) 2017-08-29 — — US disclosed
US-20160264518-A1 ALPHA-CINNAMIDE COMPOUNDS AND COMPOSITIONS AS HDAC8 INHIBITORS Valo Health, LLC 2016-09-15 — — 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-20180044282-A1 ALPHA-CINNAMIDE COMPOUNDS AND COMPOSITIONS AS HDAC8 INHIBITORS HDAC8, HDAC7, HDAC1 LMNA 226/4885HTT 974/4885NR1I2 457/4885
US-20160264518-A1 ALPHA-CINNAMIDE COMPOUNDS AND COMPOSITIONS AS HDAC8 INHIBITORS HDAC8, HDAC7, HDAC1 LMNA 226/4885HTT 974/4885NR1I2 457/4885

“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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