SCHEMBL7393149

SCHEMBL7393149

COC1=C(OC)C(=O)C(CO)=C(C)C1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.62
TDP1 Q9NUW8 3/20 0.62
LMNA P02545 3/20 0.62
CYP3A4 P08684 2/20 0.62
CYP2D6 P10635 2/20 0.62
CYP2C9 P11712 2/20 0.62
CYP2C19 P33261 2/20 0.62
PGR P06401 1/20 0.62
MAOA P21397 1/20 0.62
TBXA2R P21731 1/20 0.62
MAPK1 P28482 1/20 0.62
AVPR2 P30518 1/20 0.62
HTR2B P41595 1/20 0.62
HTT P42858 1/20 0.62
PDE3A Q14432 1/20 0.62
SIRT2 Q8IXJ6 1/20 0.62
SLC29A1 Q99808 1/20 0.62
IDO1 P14902 2/20 0.56
ALDH1A1 P00352 2/20 0.55
THRB P10828 1/20 0.55

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
SCHEMBL5143251 0.89 MAPT (0.51) MAPTTDP1LMNACYP3A4CYP2D6
SCHEMBL16231160 0.86 MAPT (0.50) MAPTTDP1LMNACYP3A4CYP2D6
SCHEMBL5141777 0.84 MAPT (0.51) MAPTTDP1LMNACYP3A4CYP2D6
SCHEMBL8368998 0.84 MAPT (0.47) MAPTTDP1LMNACYP3A4CYP2D6
SCHEMBL7364265 0.83 MAPT (0.74) MAPTTDP1LMNACYP3A4CYP2D6
SCHEMBL13431190 0.83 MAPT (0.49) MAPTTDP1LMNACYP3A4CYP2D6
SCHEMBL13033957 0.80 MAPT (0.61) MAPTTDP1LMNACYP3A4CYP2D6
SCHEMBL2458767 0.79 MAPT (0.97) MAPTTDP1LMNACYP3A4CYP2D6
SCHEMBL5146178 0.79 MAPT (0.64) MAPTTDP1LMNACYP3A4CYP2D6
SCHEMBL24783643 0.78 IDO1 (0.56) MAPTTDP1LMNACYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4831265-A ANTIFIBROTIC AGENT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-05-16 US claimed
EP-0058057-A1 Method of producing quinone derivatives Takeda Chemical Industries, Ltd. (JP) 1982-08-18 EP claimed
JP-58174343-A None JP disclosed
US-20180022700-A1 COMPOUND CONTAINING INDOLEACETIC ACID CORE STRUCTURE AND USE THEREOF BEIJING AN JIAN XI BIO-MEDICAL TECHNOLOGY CO., LTD. (CN) 2018-01-25 US disclosed
EP-1423396-B1 SYNTHESIS OF TRIPHENYLPHOSPHONIUM QUINOLS AND QUINONES ANTIPODEAN PHARMACEUTICALS INC (US) 2011-10-05 EP disclosed
US-20070260076-A1 Practical, Cost-Effective Synthesis of Ubiquinones ZYMES, LLC 2007-11-08 US disclosed
US-7179928-B2 Synthesis of triphenylphosphonium quinols and quinones ANTIPODEAN PHARMACEUTICALS, INC. (US) 2007-02-20 US disclosed
US-4831265-A ANTIFIBROTIC AGENT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-05-16 US disclosed
JP-S58174343-A BENZOQUINONE DERIVATIVE TAKEDA CHEM IND LTD 1983-10-13 JP disclosed
EP-0058057-A1 Method of producing quinone derivatives Takeda Chemical Industries, Ltd. (JP) 1982-08-18 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-20180022700-A1 COMPOUND CONTAINING INDOLEACETIC ACID CORE STRUCTURE AND USE THEREOF IDO1, TPH1, IDO2 MAPT 3390/4885TDP1 4032/4885LMNA 2460/4885
US-20070260076-A1 Practical, Cost-Effective Synthesis of Ubiquinones SQOR, NDUFS6, NDUFS5 MAPT 4024/4885TDP1 3402/4885LMNA 2961/4885

“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.