SCHEMBL16898315

SCHEMBL16898315

O=C(Cl)CCCc1ccc2ccccc2c1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.73
▸ HDAC1 Q13547 3/20 0.59
▸ HDAC8 Q9BY41 2/20 0.59
▸ CYP2D6 P10635 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ SIGMAR1 Q99720 1/20 0.51
▸ HCAR2 Q8TDS4 2/20 0.50
▸ PDPK1 O15530 1/20 0.50
▸ NAAA Q02083 1/20 0.49
▸ SLC13A5 Q86YT5 1/20 0.47
▸ FFAR1 O14842 1/20 0.46
▸ SOX18 P35713 1/20 0.46
▸ CYP2A6 P11509 1/20 0.44
▸ HDAC3 O15379 1/20 0.43
▸ HDAC2 Q92769 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
SCHEMBL9062915 0.93 HDAC1 (0.68) CYP1A2HDAC1HDAC8CYP2D6CYP2C19
SCHEMBL19612760 0.93 HDAC1 (0.68) CYP1A2HDAC1HDAC8CYP2D6CYP2C19
SCHEMBL7191582 0.89 CYP1A2 (0.62) CYP1A2HDAC1HDAC8CYP2D6CYP2C19
SCHEMBL30061865 0.84 CYP1A2 (1.00) CYP1A2HDAC1HDAC8CYP2D6CYP2C19
SCHEMBL1285452 0.84 CYP1A2 (0.75) CYP1A2HDAC1HDAC8CYP2D6CYP2C19
SCHEMBL2318140 0.84 CYP1A2 (1.00) CYP1A2HDAC1HDAC8CYP2D6CYP2C19
SCHEMBL5182845 0.83 CYP1A2 (0.73) CYP1A2HDAC1HDAC8CYP2D6CYP2C19
Water SCHEMBL27348665 0.83 CYP1A2 (0.73) CYP1A2HDAC1HDAC8CYP2D6CYP2C19
SCHEMBL22190341 0.80 HDAC1 (0.88) CYP1A2HDAC1HDAC8HCAR2HDAC3
SCHEMBL30060248 0.80 HDAC1 (0.88) CYP1A2HDAC1HDAC8HCAR2HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200095217-A1 HYDROXY FORMAMIDE DERIVATIVES AND THEIR USE GLAXOSMITHKLINE IP NO 2 LTD (GB) 2020-03-26 — — US disclosed
US-10450288-B2 Hydroxy formamide derivatives and their use GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2019-10-22 — — US disclosed
US-20160340328-A1 HYDROXY FORMAMIDE DERIVATIVES AND THEIR USE GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2016-11-24 — — US disclosed
EP-3092233-A1 HYDROXY FORMAMIDE DERIVATIVES AND THEIR USE Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2016-11-16 — — EP disclosed
WO-2015104684-A1 HYDROXY FORMAMIDE DERIVATIVES AND THEIR USE GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-07-16 — — 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-20200095217-A1 HYDROXY FORMAMIDE DERIVATIVES AND THEIR USE BMP1, BMPR1A, BMPR2 CYP1A2 1422/4885HDAC1 243/4885HDAC8 537/4885
US-20160340328-A1 HYDROXY FORMAMIDE DERIVATIVES AND THEIR USE BMP1, BMPR1A, BMPR2 CYP1A2 1422/4885HDAC1 243/4885HDAC8 537/4885
US-10450288-B2 Hydroxy formamide derivatives and their use BMP1, BMPR1A, BMPR2 CYP1A2 1422/4885HDAC1 243/4885HDAC8 537/4885

“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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