SCHEMBL2223445

SCHEMBL2223445

CC1(C)CCC(C)(C)c2cc(C#N)ccc21

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RARB P10826 7/20 0.53
RARG P13631 7/20 0.53
RARA P10276 4/20 0.53
CYP26A1 O43174 2/20 0.53
CYP3A4 P08684 1/20 0.53
CRABP2 P29373 1/20 0.53
KDM1A O60341 2/20 0.44
RXRA P19793 10/20 0.41
RXRB P28702 8/20 0.41
RXRG P48443 6/20 0.41
NSD2 O96028 1/20 0.38
CYP26B1 Q9NR63 1/20 0.38
DRD2 P14416 2/20 0.38
DRD3 P35462 2/20 0.38
PNMT P11086 1/20 0.38
PGR P06401 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
SCHEMBL9483828 0.89 RARB (0.63) RARBRARGRARACYP26A1CYP3A4
SCHEMBL16905203 0.88 PGR (0.42) RARBRARGRARACYP26A1CYP3A4
SCHEMBL10515704 0.81 RARB (0.58) RARBRARGRARACYP26A1CYP3A4
SCHEMBL10515701 0.81 RARB (0.58) RARBRARGRARACYP26A1CYP3A4
SCHEMBL26892628 0.81 KDM1A (0.57) RARBRARGRARACYP26A1CYP3A4
SCHEMBL2223568 0.80 RARB (0.53) RARBRARGRARACYP26A1CYP3A4
SCHEMBL16905204 0.80 KDM1A (0.44) KDM1ADRD2DRD3PNMT
SCHEMBL3838094 0.80 RARB (0.57) RARBRARGRARACYP26A1CYP3A4
SCHEMBL19342919 0.79 CYP3A4 (0.49) RARBRARGRARACYP26A1CYP3A4
SCHEMBL9484150 0.79 RXRA (0.42) RARBRARGRARACYP26A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109206381-B A method for preparing compound intermediate for regulating activity of cannabinoid receptor 珠海润都制药股份有限公司 2021-10-08 CN disclosed
US-20170170413-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-06-15 US disclosed
US-20170170413-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-06-15 US disclosed
WO-2015117718-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2015-08-13 WO disclosed
US-8907098-B2 Inhibitors of sphingosine kinase MERCK PATENT GMBH (DE) 2014-12-09 US disclosed
US-8907098-B2 Inhibitors of sphingosine kinase MERCK PATENT GMBH (DE) 2014-12-09 US disclosed
US-8907098-B2 Inhibitors of sphingosine kinase MERCK PATENT GMBH (DE) 2014-12-09 US disclosed
EP-2513066-A1 SPHINGOSINE KINASE INHIBITORS Merck Patent GmbH (DE) 2012-10-24 EP disclosed
US-20120252815-A1 INHIBITORS OF SPHINGOSINE KINASE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-04 US disclosed
US-20120252815-A1 INHIBITORS OF SPHINGOSINE KINASE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-04 US disclosed
US-20120252815-A1 INHIBITORS OF SPHINGOSINE KINASE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-04 US disclosed
WO-2011082732-A1 SPHINGOSINE KINASE INHIBITORS MERCK PATENT GMBH (DE) 2011-07-14 WO disclosed
US-5475017-A Skin disorders, antitumor agents; side effect reduction BASF AKTIENGESELLSCHAFT (DE) 1995-12-12 US disclosed
EP-0382077-B1 Diaryl-substituted heterocyclic compound, its preparation and medicaments and cosmetics made thereof BASF AG (DE) 1995-05-17 EP disclosed
US-5338749-A Treating rheumatic or arthritic disorders BASF AKTIENGESELLSCHAFT (DE) 1994-08-16 US disclosed
US-5206242-A Skin disorders BASF AKTIENGESELLSCHAFT (DE) 1993-04-27 US disclosed
US-5196532-A Treatment of skin disorders BASF AKTIENGESELLSCHAFT (DE) 1993-03-23 US disclosed
US-5061705-A Skin disorders BASF AKTIENGESELLSCHAFT (DE) 1991-10-29 US disclosed
EP-0382077-A2 Diaryl-substituted heterocyclic compound, its preparation and medicaments and cosmetics made thereof BASF Aktiengesellschaft (DE) 1990-08-16 EP 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-20170170413-A1 METAL COMPLEXES SOD1, AP1M1, AP3M1 RARB 3717/4885RARG 3452/4885RARA 3284/4885
US-20120252815-A1 INHIBITORS OF SPHINGOSINE KINASE SPHK1, S1PR3, SPHK2 RARB 4278/4885RARG 2466/4885RARA 4508/4885

“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.