SCHEMBL12167102

SCHEMBL12167102

OC1CCCC2CCCC12

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
SLC18A3 Q16572 2/20 0.34
CTDSP1 Q9GZU7 2/20 0.33
ALDH1A1 P00352 1/20 0.33
KDM4E B2RXH2 1/20 0.32
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
TSHR P16473 1/20 0.30

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
SCHEMBL23191939 1.00 CA1 (0.41) CA1CA2CA4SLC18A3CTDSP1
SCHEMBL12477685 1.00 CA1 (0.41) CA1CA2CA4SLC18A3CTDSP1
SCHEMBL15345958 1.00 CA1 (0.41) CA1CA2CA4SLC18A3CTDSP1
SCHEMBL12684669 1.00 CA1 (0.41) CA1CA2CA4SLC18A3CTDSP1
SCHEMBL15355816 1.00 CA1 (0.41) CA1CA2CA4SLC18A3CTDSP1
SCHEMBL13767450 0.97 CA1 (0.46) CA1CA2CA4SLC18A3CTDSP1
SCHEMBL3038819 0.97 CA1 (0.46) CA1CA2CA4SLC18A3CTDSP1
SCHEMBL21757863 0.97 CA1 (0.46) CA1CA2CA4SLC18A3CTDSP1
SCHEMBL8161261 0.97 CA1 (0.46) CA1CA2CA4SLC18A3CTDSP1
SCHEMBL712232 0.97 CA1 (0.46) CA1CA2CA4SLC18A3CTDSP1

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-105209429-A Ship1 modulators and methods related thereto AQUINOX PHARMACEUTICALS INC 2015-12-30 CN claimed
US-9499558-B2 Compounds and methods for treating HIV PURDUE RESEARCH FOUNDATION (US) 2016-11-22 US disclosed
CN-105209429-A Ship1 modulators and methods related thereto AQUINOX PHARMACEUTICALS INC 2015-12-30 CN disclosed
US-20150225414-A1 COMPOUNDS AND METHODS FOR TREATING HIV NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-08-13 US disclosed
US-9072676-B2 Cyclohexyl carbamate compounds as skin and/or hair lightening actives SYMRISE AG (DE) 2015-07-07 US disclosed
US-9072676-B2 Cyclohexyl carbamate compounds as skin and/or hair lightening actives SYMRISE AG (DE) 2015-07-07 US disclosed
US-9024038-B2 Compunds and methods for treating HIV PURDUE RESEARCH FOUNDATION (US) 2015-05-05 US disclosed
US-9012497-B2 Cyclohexyl carbamate compounds as active anti-cellulite ingredients SYMRISE AG (DE) 2015-04-21 US disclosed
US-9012497-B2 Cyclohexyl carbamate compounds as active anti-cellulite ingredients SYMRISE AG (DE) 2015-04-21 US disclosed
CN-102482210-B Vitamin D receptor agonists and uses thereof VIDASYM LLC 2015-04-08 CN disclosed
US-20140235548-A1 COMPOSITIONS AND METHODS FOR JAMM PROTEIN INHIBITION CLEAVE BIOSCIENCES, INC. (US) 2014-08-21 US disclosed
US-20130289067-A1 COMPOUNDS AND METHODS FOR TREATING HIV PURDUE RESEARCH FOUNDATION 2013-10-31 US disclosed
US-20130156710-A1 CYCLOHEXYL CARBAMATE COMPOUNDS AS SKIN AND/OR HAIR LIGHTENING ACTIVES SYMRISE AG (DE) 2013-06-20 US disclosed
US-20130156710-A1 CYCLOHEXYL CARBAMATE COMPOUNDS AS SKIN AND/OR HAIR LIGHTENING ACTIVES SYMRISE AG (DE) 2013-06-20 US disclosed
US-20130137710-A1 CYCLOHEXYL CARBAMATE COMPOUNDS AS ACTIVE ANTI-CELLULITE INGREDIENTS SYMRISE AG (DE) 2013-05-30 US disclosed
US-20130137710-A1 CYCLOHEXYL CARBAMATE COMPOUNDS AS ACTIVE ANTI-CELLULITE INGREDIENTS SYMRISE AG (DE) 2013-05-30 US disclosed
WO-2012092168-A1 FUSED 6,5 BICYCLIC RING SYSTEM P2 LIGANDS, AND METHODS FOR TREATING HIV PURDUE RESEARCH FOUNDATION (US) 2012-07-05 WO disclosed
CN-102482210-A Vitamin d receptor agonists and uses thereof VIDASYM LLC 2012-05-30 CN disclosed
EP-2389922-A1 Cyclohexyl carbamate compounds as anti-ageing actives Symrise AG (DE) 2011-11-30 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 (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-20150225414-A1 COMPOUNDS AND METHODS FOR TREATING HIV SERPINB1, HPN, DNPEP CA1 2022/4885CA2 3225/4885CA4 1906/4885
US-20140235548-A1 COMPOSITIONS AND METHODS FOR JAMM PROTEIN INHIBITION USP24, USP36, USP39 CA1 4540/4885CA2 4790/4885CA4 4292/4885
US-20130156710-A1 CYCLOHEXYL CARBAMATE COMPOUNDS AS SKIN AND/OR HAIR LIGHTENING ACTIVES CBR1, CYP2A13, CBR3 CA1 2601/4885CA2 929/4885CA4 893/4885
US-20130289067-A1 COMPOUNDS AND METHODS FOR TREATING HIV SERPINB1, HPN, DNPEP CA1 2022/4885CA2 3225/4885CA4 1906/4885
US-20130137710-A1 CYCLOHEXYL CARBAMATE COMPOUNDS AS ACTIVE ANTI-CELLULITE INGREDIENTS CBR1, NCOR2, CECR2 CA1 2365/4885CA2 250/4885CA4 400/4885

“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.