SCHEMBL2406192

SCHEMBL2406192

C/C(=C\c1ccc(C=O)cc1)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.69
EGFR P00533 2/20 0.53
ALDH1A1 P00352 6/20 0.50
TBXAS1 P24557 5/20 0.50
HTT P42858 1/20 0.47
CYP2A6 P11509 2/20 0.44
ALDH5A1 P51649 1/20 0.44
ABAT P80404 1/20 0.44
GLA P06280 1/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TSHR P16473 1/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL2406193 1.00 AKR1C3 (0.69) AKR1C3EGFRALDH1A1TBXAS1HTT
SCHEMBL2462983 0.91 AKR1C3 (0.82) AKR1C3ALDH1A1TBXAS1HTTGLA
SCHEMBL2462984 0.91 AKR1C3 (0.82) AKR1C3ALDH1A1TBXAS1HTTGLA
SCHEMBL3860890 0.91 AKR1C3 (0.58) AKR1C3EGFRALDH1A1TBXAS1HTT
SCHEMBL2732933 0.84 AKR1C3 (0.72) AKR1C3ALDH1A1TBXAS1HTTGLA
SCHEMBL3414243 0.84 AKR1C3 (0.72) AKR1C3ALDH1A1TBXAS1HTTGLA
SCHEMBL7764222 0.83 TBXAS1 (0.68) AKR1C3ALDH1A1TBXAS1HTTGLA
SCHEMBL7764218 0.83 TBXAS1 (0.68) AKR1C3ALDH1A1TBXAS1HTTGLA
SCHEMBL126545 0.83 AKR1C3 (0.69) AKR1C3ALDH1A1TBXAS1HTTGLA
SCHEMBL83883 0.83 AKR1C3 (0.69) AKR1C3ALDH1A1TBXAS1HTTALDH5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020132183-A1 Organic anti-reflective coating material and its preparation HYUNDAI ELECTRONICS INDUSTRIES CO., LTD. (KR) 2002-09-19 US claimed
US-20140155439-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2014-06-05 US disclosed
US-20110212943-A1 NOVEL BRIDGED CYCLIC COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2011-09-01 US disclosed
US-20070254931-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity ASTELLAS PHARMA INC. (JP) 2007-11-01 US disclosed
US-20020132183-A1 Organic anti-reflective coating material and its preparation HYUNDAI ELECTRONICS INDUSTRIES CO., LTD. (KR) 2002-09-19 US disclosed
US-6368768-B1 ACRYLATE ESTER COPOLYMER HYUNDAI ELECTRONICS INDUSTRIES CO., LTD. (KR) 2002-04-09 US disclosed
EP-0574519-B1 POLYMERIC NITRONES HAVING AN ACRYLIC BACKBONE CHAIN ALLIED SIGNAL INC (US) 1996-04-10 EP disclosed
WO-1992015625-A1 POLYMERIC NITRONES HAVING AN ACRYLIC BACKBONE CHAIN ALLIED-SIGNAL INC. (US) 1992-09-17 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 (3 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-20140155439-A1 ENZYME INHIBITORS HDAC4, HDAC1, HDAC3 AKR1C3 401/4885EGFR 1133/4885ALDH1A1 747/4885
US-20110212943-A1 NOVEL BRIDGED CYCLIC COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC7 AKR1C3 847/4885EGFR 2597/4885ALDH1A1 1442/4885
US-20070254931-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity VCAM1, VAPB, VAPA AKR1C3 2794/4885EGFR 3806/4885ALDH1A1 531/4885

“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.