SCHEMBL10252829

SCHEMBL10252829

O=C1OC2(CCCC2)c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.58
NPY5R Q15761 7/20 0.49
AVPR1A P37288 7/20 0.49
CFTR P13569 1/20 0.48
GOPC Q9HD26 1/20 0.48
TNKS O95271 1/20 0.47
TNKS2 Q9H2K2 1/20 0.47
HRH3 Q9Y5N1 2/20 0.46

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
SCHEMBL6427482 0.98 SIGMAR1 (0.56) SIGMAR1NPY5RAVPR1ACFTRGOPC
SCHEMBL8777675 0.92 SIGMAR1 (0.61) SIGMAR1NPY5RAVPR1ACFTRGOPC
SCHEMBL612153 0.85 SIGMAR1 (0.55) SIGMAR1NPY5RAVPR1ACFTRGOPC
SCHEMBL15710462 0.85 SIGMAR1 (0.55) SIGMAR1NPY5RAVPR1ACFTRGOPC
SCHEMBL18854250 0.85 SIGMAR1 (0.55) SIGMAR1NPY5RAVPR1ACFTRGOPC
SCHEMBL171980 0.83 SIGMAR1 (0.54) SIGMAR1NPY5RAVPR1ACFTRGOPC
SCHEMBL15076889 0.83 SIGMAR1 (0.54) SIGMAR1NPY5RAVPR1ACFTRGOPC
SCHEMBL11839999 0.83 SIGMAR1 (0.54) SIGMAR1NPY5RAVPR1ACFTRGOPC
SCHEMBL29674557 0.83 SIGMAR1 (0.54) SIGMAR1NPY5RAVPR1ACFTRGOPC
SCHEMBL3401467 0.83 SIGMAR1 (0.54) SIGMAR1NPY5RAVPR1ACFTRGOPC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10961266-B2 Chemoselective methylene hydroxylation in aromatic molecules THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2021-03-30 US disclosed
US-10961266-B2 Chemoselective methylene hydroxylation in aromatic molecules THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2021-03-30 US disclosed
US-20200087331-A1 CHEMOSELECTIVE METHYLENE HYDROXYLATION IN AROMATIC MOLECULES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2020-03-19 US disclosed
US-20200087331-A1 CHEMOSELECTIVE METHYLENE HYDROXYLATION IN AROMATIC MOLECULES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2020-03-19 US disclosed
US-9957229-B2 Amido compounds and their use as pharmaceuticals INCYTE HOLDINGS CORPORATION (US) 2018-05-01 US disclosed
US-20170334847-A1 Amido Compounds And Their Use As Pharmaceuticals INCYTE CORPORATION 2017-11-23 US disclosed
US-9670154-B2 Amido compounds and their use as pharmaceuticals INCYTE HOLDINGS CORPORATION (US) 2017-06-06 US disclosed
US-20150329561-A1 Amido Compounds And Their Use As Pharmaceuticals INCYTE CORPORATION 2015-11-19 US disclosed
US-9126927-B2 Amido compounds and their use as pharmaceuticals INCYTE HOLDINGS CORPORATION (US) 2015-09-08 US disclosed
US-20120015928-A1 Amido Compounds And Their Use As Pharmaceuticals INCYTE CORPORATION (US) 2012-01-19 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 (5 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-20170334847-A1 Amido Compounds And Their Use As Pharmaceuticals HSD11B1, CYP11B1, HSD11B2 SIGMAR1 605/4885NPY5R 642/4885AVPR1A 60/4885
US-10961266-B2 Chemoselective methylene hydroxylation in aromatic molecules PAH, DBH, AHR SIGMAR1 2893/4885NPY5R 3484/4885AVPR1A 3185/4885
US-20200087331-A1 CHEMOSELECTIVE METHYLENE HYDROXYLATION IN AROMATIC MOLECULES PAH, DBH, AHR SIGMAR1 2893/4885NPY5R 3484/4885AVPR1A 3185/4885
US-20120015928-A1 Amido Compounds And Their Use As Pharmaceuticals HSD11B1, CYP11B1, HSD11B2 SIGMAR1 605/4885NPY5R 642/4885AVPR1A 60/4885
US-20150329561-A1 Amido Compounds And Their Use As Pharmaceuticals HSD11B1, CYP11B1, HSD11B2 SIGMAR1 605/4885NPY5R 642/4885AVPR1A 60/4885

“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.