SCHEMBL4889920

SCHEMBL4889920

CC12CC3CC(C1)CC(C(=O)O)(C3)C2(C)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.32
APLNR P35414 1/20 0.31
PKM P14618 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GAA P10253 1/20 0.31
THRB P10828 1/20 0.31
CYP2C9 P11712 1/20 0.31
FFAR3 O14843 1/20 0.30
POLB P06746 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
Hydrochloric Acid SCHEMBL27509387 0.98 PKM (0.33) ALDH1A1TSHRAPLNRPKML3MBTL1
Bromide SCHEMBL27493953 0.98 ALDH1A1 (0.32) ALDH1A1TSHRAPLNRPKML3MBTL1
SCHEMBL14246423 0.82 ALDH1A1 (0.33) ALDH1A1TSHRAPLNRPKML3MBTL1
SCHEMBL1072980 0.79 ALDH1A1 (0.36) ALDH1A1TSHRAPLNRPKML3MBTL1
SCHEMBL6861107 0.76 TSHR (0.35) TSHRGAATHRB
SCHEMBL6862698 0.74 TSHR (0.31) TSHRGAA
SCHEMBL160641 0.72 THRB (0.35) ALDH1A1TSHRPKML3MBTL1GAA
SCHEMBL5248488 0.71 THRB (0.36) ALDH1A1APLNRGAATHRBCYP2C9
SCHEMBL31065066 0.70 THRB (0.34) ALDH1A1PKML3MBTL1GAATHRB
SCHEMBL31065065 0.70 THRB (0.34) ALDH1A1PKML3MBTL1GAATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2138139-A None JP disclosed
US-20080220191-A1 Thermal Transfer Receiving Sheet OJI PAPER CO., LTD. (JP) 2008-09-11 US disclosed
EP-1870249-A1 THERMAL TRANSFER RECEIVING SHEET OJI PAPER COMPANY LIMITED (JP) 2007-12-26 EP disclosed
CN-1308338-C Phosphorus compound DAICEL CHEM (JP) 2007-04-04 CN disclosed
CN-1224625-C Phosphorus-containing compound DAICEL CHEM (JP) 2005-10-26 CN disclosed
CN-1597686-A Phosphorus compound DAICEL CHEM (JP) 2005-03-23 CN disclosed
US-6794528-B2 HEAT RESISTANCE, FLAME RETARDERS, STABILIZERS; REACTING DIALCOHOL COMPOUND WITH A PHOSPHYL OXYCHLORIDE COMPOUND DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2004-09-21 US disclosed
US-20030109736-A1 Phosphorus compound DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2003-06-12 US disclosed
EP-1277758-A1 PHOSPHORUS COMPOUND Daicel Chemical Industries, Ltd. (JP) 2003-01-22 EP disclosed
CN-1383429-A Phosphorus-containing compound DAICEL CHEM (JP) 2002-12-04 CN disclosed
JP-H02138139-A PRODUCTION OF 1,3-DIBROMO-5,7-DIMETHYLADAMANTANE SUMIKIN CHEM CO LTD 1990-05-28 JP disclosed
EP-0053621-B1 UNSATURATED ESTERS OF ADAMANTANE CONTAINING DIOLS AND THERMO-RESISTANT CROSS-LINKED POLYMERS THEREFROM BATTELLE MEMORIAL INSTITUTE (CH) 1984-07-25 EP disclosed
EP-0053621-A1 UNSATURATED ESTERS OF ADAMANTANE CONTAINING DIOLS AND THERMO-RESISTANT CROSS-LINKED POLYMERS THEREFROM. BATTELLE MEMORIAL INSTITUTE (CH) 1982-06-16 EP disclosed
US-4332964-A Unsaturated esters of adamantane containing diols and thermo-resistant cross-linked polymers therefrom BATTELLE DEVELOPMENT CORPORATION (US) 1982-06-01 US disclosed
WO-1981003657-A1 UNSATURATED ESTERS OF ADAMANTANE CONTAINING DIOLS AND THERMO-RESISTANT CROSS-LINKED POLYMERS THEREFROM BATTELLE MEMORIAL INSTITUTE (CH) 1981-12-24 WO 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-20030109736-A1 Phosphorus compound NR4A1, POLL, NR0B1 ALDH1A1 3180/4885TSHR 2410/4885APLNR 3248/4885

“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.