SCHEMBL19899208

SCHEMBL19899208

[CH2][C@H](CC=C)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
EPHX1 P07099 2/20 0.43
CYP2C19 P33261 1/20 0.41
TAAR1 Q96RJ0 4/20 0.40
SLC6A2 P23975 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
MAOA P21397 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
TSHR P16473 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP2A6 P11509 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
CYP1A2 P05177 1/20 0.39
SLC18A2 Q05940 1/20 0.38
ANPEP P15144 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL19899196 1.00 SMN1; SMN2 (0.46) SMN1; SMN2EPHX1CYP2C19TAAR1SLC6A2
SCHEMBL1287678 0.81 EPHX1 (0.55) EPHX1TAAR1SLC6A2SIGMAR1MAOA
Aletamine SCHEMBL122065 0.77 EPHX1 (0.64) SMN1; SMN2EPHX1TAAR1SLC6A2SIGMAR1
SCHEMBL15184700 0.77 TRPA1 (0.44) SMN1; SMN2EPHX1CYP2C19TAAR1SLC6A2
SCHEMBL10901103 0.77 SMN1; SMN2 (0.44) SMN1; SMN2EPHX1CYP2C19TAAR1SLC6A2
SCHEMBL3257633 0.77 SMN1; SMN2 (0.44) SMN1; SMN2EPHX1CYP2C19TAAR1SLC6A2
SCHEMBL5159235 0.77 EPHX1 (0.46) SMN1; SMN2EPHX1CYP2C19TAAR1SLC6A2
SCHEMBL2369596 0.77 TRPA1 (0.44) SMN1; SMN2EPHX1CYP2C19TAAR1SLC6A2
SCHEMBL1071466 0.77 TAAR1 (0.48) SMN1; SMN2EPHX1TAAR1SLC6A2SIGMAR1
Aletamine SCHEMBL5038065 0.77 EPHX1 (0.64) SMN1; SMN2EPHX1TAAR1SLC6A2SIGMAR1

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-10259779-B2 Structural requirements of histone deacetylase inhibitors: C4-modified SAHA analogs display dual HDAC6/HDAC8 selectivity WAYNE STATE UNIVERSITY (US) 2019-04-16 US disclosed
US-20180057448-A1 Structural requirements of histone deacetylase inhibitors: C4-modified saha analogs display dual HDAC6/HDAC8 selectivity WAYNE STATE UNIVERSITY 2018-03-01 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-10259779-B2 Structural requirements of histone deacetylase inhibitors: C4-modified SAHA analogs display dual HDAC6/HDAC8 selectivity HDAC8, HDAC6, HDAC1 SMN1; SMN2 3367/4885EPHX1 4499/4885CYP2C19 3099/4885
US-20180057448-A1 Structural requirements of histone deacetylase inhibitors: C4-modified saha analogs display dual HDAC6/HDAC8 selectivity HDAC8, HDAC6, HDAC1 SMN1; SMN2 3367/4885EPHX1 4499/4885CYP2C19 3099/4885

“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.