SCHEMBL21451899

SCHEMBL21451899

O=C1CCCCC1(Cl)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.41
SLC6A9 P48067 1/20 0.41
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
PIM1 P11309 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
GALR1 P47211 1/20 0.38
OPRL1 P41146 1/20 0.38
KIF11 P52732 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
SLC6A2 P23975 12/20 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
SCHEMBL21452493 0.82 GRIN1 (0.46) GRIN1GRIN2AGRIN2BSLC6A2
SCHEMBL30207557 0.82 SLC6A9 (0.41) TACR1SLC6A9HDAC3HDAC1HDAC2
SCHEMBL21452177 0.82 SLC6A9 (0.41) TACR1SLC6A9HDAC3HDAC1HDAC2
SCHEMBL30207558 0.82 SLC6A9 (0.41) TACR1SLC6A9HDAC3HDAC1HDAC2
SCHEMBL30207585 0.79 HDAC6 (0.37) TACR1SLC6A9HDAC3HDAC1HDAC2
SCHEMBL21452162 0.78 TAS1R3 (0.38) TACR1SLC6A9HDAC3HDAC1HDAC2
SCHEMBL28920290 0.78 SLC6A9 (0.39) TACR1SLC6A9HDAC3HDAC1HDAC2
SCHEMBL21452163 0.77 SLC6A9 (0.38) TACR1SLC6A9HDAC3HDAC1HDAC2
SCHEMBL28605869 0.77 HDAC3 (0.43) SLC6A9HDAC3HDAC1HDAC2HDAC6
SCHEMBL29077201 0.76 HDAC3 (0.40) SLC6A9HDAC3HDAC1HDAC2HDAC6

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-20210171487-A1 AROMATIC COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI JIANHE PHARMACEUTICAL & TECHNOLOGY CO. LTD. (CN) 2021-06-10 US disclosed
EP-3778579-A1 AROMATIC COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Jianhe Pharmaceutical & Technology Co. Ltd. (CN) 2021-02-17 EP disclosed
WO-2019192602-A1 AROMATIC COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海键合医药科技有限公司 2019-10-10 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-20210171487-A1 AROMATIC COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF CYP4F11, PAH, COMT TACR1 510/4885SLC6A9 648/4885HDAC3 4405/4885

“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.