SCHEMBL1349169

SCHEMBL1349169

COC(=O)C(C)CCc1ccc(N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.46
F10 P00742 1/20 0.46
PRSS1 P07477 1/20 0.46
TSHR P16473 1/20 0.45
ADRB2 P07550 2/20 0.42
ADRB1 P08588 2/20 0.42
ADRB3 P13945 2/20 0.42
GFER P55789 1/20 0.42
CYP19A1 P11511 3/20 0.41
PPID Q08752 2/20 0.40
ITGB1 P05556 1/20 0.40
ITGA5 P08648 1/20 0.40
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL16314712 0.85 TSHR (0.46) TSHRADRB2ADRB1ADRB3TAS1R3
SCHEMBL14032207 0.85 ESR1 (0.53) TSHRADRB2ADRB1ADRB3ALDH1A1
SCHEMBL17590465 0.83 TSHR (0.52) TSHRADRB2ADRB1ADRB3ALDH1A1
SCHEMBL16314618 0.83 L3MBTL1 (0.48) TSHRALDH1A1
SCHEMBL17590264 0.83 L3MBTL1 (0.48) TSHRALDH1A1
SCHEMBL5019059 0.83 ESR1 (0.46) TSHRADRB2ADRB1ADRB3PPID
SCHEMBL6574637 0.83 TSHR (0.65) TSHRALDH1A1NPC1RAB9A
SCHEMBL22338892 0.83 ESR1 (0.46) TSHRADRB2ADRB1ADRB3PPID
SCHEMBL121124 0.83 TSHR (0.65) TSHRALDH1A1NPC1RAB9A
SCHEMBL19647373 0.83 ESR1 (0.46) TSHRADRB2ADRB1ADRB3PPID

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
EP-2388247-B1 Histone deacetylase inhibitors UNIV TAIPEI MEDICAL (TW) 2017-08-02 EP disclosed
US-8242282-B2 Histone deacetylase inhibitors TAIPEI MEDICAL UNIVERSITY (TW) 2012-08-14 US disclosed
US-20110288133-A1 HISTONE DEACETYLASE INHIBITORS TAIPEI MEDICAL UNIVERSITY (TW) 2011-11-24 US disclosed
EP-2388247-A2 Histone deacetylase inhibitors Taipei Medical University (TW) 2011-11-23 EP disclosed
US-8039296-B2 Organic thin film transistor array panel and manufacturing method thereof SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-10-18 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 (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-20110288133-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC5, HDAC2 F2 4730/4885F10 4026/4885PRSS1 307/4885

“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.