SCHEMBL6545071

SCHEMBL6545071

COC(=O)C1C(=O)CC(=O)CC1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.51
TSHR P16473 5/20 0.38
KDM4E B2RXH2 2/20 0.38
CYP1A2 P05177 1/20 0.38
HIF1A Q16665 1/20 0.38
ALOX12 P18054 1/20 0.37
RECQL P46063 1/20 0.36
BRD4 O60885 1/20 0.36
RAB9A P51151 7/20 0.36
SMN1; SMN2 Q16637 5/20 0.36
NPC1 O15118 5/20 0.36
TP53 P04637 3/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 2/20 0.36
MMP2 P08253 1/20 0.36
ANPEP P15144 1/20 0.36
HTT P42858 2/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL8953203 0.84 MAPK1 (0.53) ALDH1A1ALOX12MAPK1GAA
SCHEMBL4846520 0.81 ALDH1A1 (0.56) ALDH1A1TSHRKDM4ECYP1A2ALOX12
SCHEMBL8502739 0.80 ALDH1A1 (0.54) ALDH1A1TSHRKDM4ECYP1A2ALOX12
SCHEMBL9049892 0.79 ALDH1A1 (0.33) ALDH1A1ALOX12MAPK1
SCHEMBL9049885 0.79 ALDH1A1 (0.33) ALDH1A1ALOX12MAPK1
SCHEMBL11062607 0.77 ALDH1A1 (0.49) ALDH1A1TSHRKDM4ECYP1A2HIF1A
SCHEMBL6545133 0.76 ALDH1A1 (0.42) ALDH1A1TSHRKDM4EALOX12RAB9A
SCHEMBL10975655 0.75 ALDH1A1 (0.47) ALDH1A1TSHRCYP1A2HIF1AALOX12
SCHEMBL31405426 0.75 BRD4 (0.39) ALDH1A1CYP1A2HIF1AALOX12BRD4
SCHEMBL1577521 0.74 ALDH1A1 (0.51) ALDH1A1TSHRKDM4ECYP1A2HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116332729-B Preparation method of 3, 5-dihydroxytoluene 厦门沃克沃德医药科技有限公司 2023-12-22 CN disclosed
CN-116332729-A Preparation method of 3, 5-dihydroxytoluene 厦门沃克沃德医药科技有限公司 2023-06-27 CN disclosed
EP-1027055-B1 3-CARBOALKOXY-2,3-DIHYDRO-1H-PHENOTHIAZIN-4(10H)-ONE DERIVATIVES UNIV HOWARD (US) 2004-01-07 EP disclosed
US-20030149293-A1 Method for producing 1,3-cyclohexanediol compound MITSUBISHI CHEMICAL CORPORATION (JP) 2003-08-07 US disclosed
EP-1333019-A1 Method for producing 1,3-cyclohexanediol compound MITSUBISHI CHEMICAL CORPORATION (JP) 2003-08-06 EP disclosed
EP-1027055-A4 3-CARBOALKOXY-2,3-DIHYDRO-1H-PHENOTHIAZIN-4(10H)-ONE DERIVATIVES UNIV HOWARD (US) 2001-12-05 EP disclosed
EP-1027055-A1 3-CARBOALKOXY-2,3-DIHYDRO-1H-PHENOTHIAZIN-4(10H)-ONE DERIVATIVES HOWARD UNIVERSITY (US) 2000-08-16 EP disclosed
US-5994349-A ANTIEPILEPTIC AGENTS HOWARD UNIVERSITY (US) 1999-11-30 US disclosed
WO-1999021560-A1 3-CARBOALKOXY-2,3-DIHYDRO-1H-PHENOTHIAZIN-4[10H]-ONE DERIVATIVES HOWARD UNIVERSITY (US) 1999-05-06 WO disclosed
US-5580894-A NERVOUS SYSTEM DISORDERS HOWARD UNIVERSITY (US) 1996-12-03 US disclosed
US-4607120-A A OMATIZATION SOCIETE ANONYME ROURE BERTRAND DUPONT (FR) 1986-08-19 US disclosed
US-4432378-A ORGANOLEPTIC; TOBACCO; FOODS; DETERGENTS; COSMETICS FRITZSCHE, DODGE & OLCOTT, INC. (US) 1984-02-21 US disclosed
US-4326996-A FOR PERFUMES FRITZSCHE DODGE & OLCOTT INC. (US) 1982-04-27 US disclosed
US-4281204-A ALKYLATION, DECARBOXYLATION TO CYCLIZE FRITZSCHE DODGE & OLCOTT INC. (US) 1981-07-28 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 (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-20030149293-A1 Method for producing 1,3-cyclohexanediol compound NISCH, HSD11B2, ACMSD ALDH1A1 1070/4885TSHR 3598/4885KDM4E 3245/4885

“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.