SCHEMBL2695258

SCHEMBL2695258

CCC(C)c1[c]ccc(C(C)CC)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
USP2 O75604 1/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HDAC4 P56524 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
TSHR P16473 3/20 0.32
CYP2C9 P11712 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.31
RORC P51449 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
SCHEMBL15067325 0.82 ALDH1A1 (0.43) ALDH1A1USP2GAAPKMHPGD
SCHEMBL11410565 0.80 ALDH1A1 (0.42) ALDH1A1USP2GAAPKMHPGD
SCHEMBL20299156 0.78 PNMT (0.32) ALDH1A1USP2GAAPKMHPGD
SCHEMBL11619605 0.78 ALDH1A1 (0.41) ALDH1A1USP2GAAPKMHPGD
SCHEMBL530329 0.76 ALDH1A1 (0.39) ALDH1A1USP2GAAPKMHPGD
SCHEMBL7775689 0.76 RORC (0.38) ALDH1A1HPGDALOX15HSD17B10RORC
SCHEMBL7482706 0.76 ABCB11 (0.37) ALDH1A1GAAHPGD
SCHEMBL145537 0.74 ALDH1A1 (0.38) ALDH1A1USP2GAAPKMHPGD
SCHEMBL11618627 0.73 HDAC4 (0.41) ALDH1A1USP2GAAPKMHPGD
SCHEMBL699057 0.72 RORC (0.32) RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240216900-A1 SABRE CATALYSTS CONTAINING FLUORINATED CARBON CHAINS FOR DELIVERY OF METAL-FREE MRI CONTRAST AGENTS THE U.S.A., AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2024-07-04 US claimed
WO-2023196594-A2 SABRE CATALYSTS CONTAINING FLUORINATED CARBON CHAINS FOR DELIVERY OF METAL-FREE MRI CONTRAST AGENTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-10-12 WO claimed
US-20240216900-A1 SABRE CATALYSTS CONTAINING FLUORINATED CARBON CHAINS FOR DELIVERY OF METAL-FREE MRI CONTRAST AGENTS THE U.S.A., AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2024-07-04 US disclosed
WO-2023196594-A2 SABRE CATALYSTS CONTAINING FLUORINATED CARBON CHAINS FOR DELIVERY OF METAL-FREE MRI CONTRAST AGENTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-10-12 WO disclosed
WO-2023196602-A1 INFUSION DEVICE FOR THE PREPARATION AND DELIVERY OF MRI PROBES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-10-12 WO disclosed
CN-112384593-A Photostable cyano-substituted boron dipyrromethene dyes as green emitters for display and lighting applications 巴斯夫欧洲公司 2021-02-19 CN disclosed
EP-2632929-A1 N-HETEROCYCLIC CARBENE COMPLEXES, THEIR PREPARATION AND USE BASF SE (DE) 2013-09-04 EP disclosed
CN-103180332-A N-heterocyclic carbene complexes, preparation and application thereof BASF SE 2013-06-26 CN disclosed
CN-101035788-B Process for the preparation of halogenated rylen-carboximides by halogenation of rylene-carboximides with elemental halogen in a two-phase mixture comprising an organic solvent and water BASF AG 2013-01-23 CN disclosed
WO-2012056419-A1 N-HETEROCYCLIC CARBENE COMPLEXES, THEIR PREPARATION AND USE BASF SE (DE) 2012-05-03 WO disclosed
US-20120108819-A1 N-Heterocyclic Carbene Complexes, Their Preparation And Use BASF SE (DE) 2012-05-03 US disclosed
US-20060257706-A1 POLYMER ELECTROLYTE COMPOSITION AND FUEL CELL HIDAKA YASUAKI 2006-11-16 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 (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-20240216900-A1 SABRE CATALYSTS CONTAINING FLUORINATED CARBON CHAINS FOR DELIVERY OF METAL-FREE MRI CONTRAST AGENTS FABP7, FFAR1, FABP1 ALDH1A1 4484/4885USP2 4831/4885GAA 1861/4885
US-20120108819-A1 N-Heterocyclic Carbene Complexes, Their Preparation And Use CYCS, CYC1, CBR1 ALDH1A1 1797/4885USP2 2866/4885GAA 4581/4885

“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.