SCHEMBL6958568

SCHEMBL6958568

C/C(=C\C(=O)O)c1ccc2ccccc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 4/20 0.59
CES2 O00748 1/20 0.55
CES1 P23141 1/20 0.55
KDM4E B2RXH2 2/20 0.51
HPGD P15428 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
EGFR P00533 1/20 0.51
TP53 P04637 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAPT P10636 1/20 0.51
PKM P14618 1/20 0.51
ALOX15 P16050 1/20 0.51
ALOX12 P18054 1/20 0.51
JAK1 P23458 1/20 0.51
MAPK1 P28482 1/20 0.51
KMT2A Q03164 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL6958575 1.00 TERT (0.59) TERTCES2CES1KDM4EHPGD
SCHEMBL6958571 1.00 TERT (0.59) TERTCES2CES1KDM4EHPGD
Hydrochloric Acid SCHEMBL6785109 0.98 TERT (0.58) TERTCES2CES1KDM4EHPGD
SCHEMBL9609512 0.87 TERT (0.57) TERTCES2CES1KDM4EHPGD
SCHEMBL6785107 0.84 TERT (0.55) TERTCES2CES1KDM4EHPGD
SCHEMBL1356518 0.84 TERT (0.55) TERTCES2CES1KDM4EHPGD
SCHEMBL1356519 0.84 TERT (0.55) TERTCES2CES1KDM4EHPGD
SCHEMBL6965648 0.84 CYP2A6 (0.56) TERTKDM4EHPGDSMN1; SMN2ALDH1A1
SCHEMBL6965643 0.84 CYP2A6 (0.56) TERTKDM4EHPGDSMN1; SMN2ALDH1A1
SCHEMBL6965641 0.84 CYP2A6 (0.56) TERTKDM4EHPGDSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110229152-B 2-bit disubstituted indoline-3-ketone compound and asymmetric synthesis method thereof 中国药科大学 2020-06-23 CN claimed
CN-110229152-B 2-bit disubstituted indoline-3-ketone compound and asymmetric synthesis method thereof 中国药科大学 2020-06-23 CN disclosed
WO-2019196714-A1 N-SUBSTITUTED ACRYLAMIDE DERIVATIVE AS DHODH INHIBITOR, AND PREPARATION AND USE THEREOF 华东理工大学 2019-10-17 WO disclosed
US-10336678-B2 Compositions and methods for preparing β,γ-unsaturated acids CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2019-07-02 US disclosed
US-20180327343-A1 COMPOSITIONS AND METHODS FOR PREPARING BETA,GAMMA-UNSATURATED ACIDS CALIFORNIA INSTITUTE OF TECHNOLOGY 2018-11-15 US disclosed
EP-0974584-B1 FUSED RING COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-01-15 EP disclosed
US-6420375-B1 ANTITUMOR TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-16 US disclosed
CN-1251577-A Fused ring compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2000-04-26 CN disclosed
EP-0974584-A1 FUSED RING COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-01-26 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-10336678-B2 Compositions and methods for preparing β,γ-unsaturated acids ELOVL5, FASN, ACSL5 TERT 2697/4885CES2 890/4885CES1 72/4885
US-20180327343-A1 COMPOSITIONS AND METHODS FOR PREPARING BETA,GAMMA-UNSATURATED ACIDS ELOVL5, FASN, ACSL5 TERT 2726/4885CES2 756/4885CES1 80/4885

“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.