SCHEMBL3316593

SCHEMBL3316593

C=CCOc1cccc(C)c1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIG1 P18858 1/20 0.47
ALDH1A1 P00352 3/20 0.46
TSHR P16473 2/20 0.46
GAA P10253 1/20 0.46
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
TRPM4 Q8TD43 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HPGD P15428 3/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
CXCR5 P32302 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2A6 P11509 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
SCHEMBL3314446 0.98 LIG1 (0.46) LIG1ALDH1A1TSHRGAACA12
SCHEMBL9955670 0.86 LIG1 (0.46) LIG1ALDH1A1TSHRGAAHPGD
SCHEMBL3314441 0.85 LIG1 (0.44) LIG1ALDH1A1TSHRGAAHPGD
SCHEMBL3434403 0.83 LIG1 (0.55) LIG1ALDH1A1TSHRGAACA12
SCHEMBL13846687 0.82 LIG1 (0.43) LIG1ALDH1A1TSHRHPGDMAPK1
SCHEMBL29037809 0.81 LIG1 (0.47) LIG1ALDH1A1TSHRGAACA12
SCHEMBL18614877 0.81 TSHR (0.51) LIG1ALDH1A1TSHRGAASMN1; SMN2
SCHEMBL11296801 0.80 L3MBTL1 (0.51) ALDH1A1TSHRGAACA12CA1
SCHEMBL27051696 0.79 CA12 (0.47) ALDH1A1CA12CA1CA2CA7
SCHEMBL28857891 0.78 LIG1 (0.54) LIG1ALDH1A1TSHRGAASMN1; SMN2

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
US-20240027903-A1 Resist Material And Patterning Process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-01-25 US disclosed
US-9656945-B2 3-acyl-ingenols II LEO LABORATORIES LIMITED (IE) 2017-05-23 US disclosed
US-20130331446-A1 3-ACYL-INGENOLS II LEO LABORATORIES LIMITED (IE) 2013-12-12 US disclosed
CN-103402969-A 3-acyl-ingenol II LEO PHARMA AS 2013-11-20 CN disclosed
EP-2655312-A1 3-ACYL-INGENOLS II LEO LABORATORIES LIMITED (IE) 2013-10-30 EP disclosed
US-8466199-B2 Allyloxy and alkyloxy benzoic acid delivery agents EMISPHERE TECHNOLOGIES, INC. (US) 2013-06-18 US disclosed
US-8466199-B2 Allyloxy and alkyloxy benzoic acid delivery agents EMISPHERE TECHNOLOGIES, INC. (US) 2013-06-18 US disclosed
US-8466199-B2 Allyloxy and alkyloxy benzoic acid delivery agents EMISPHERE TECHNOLOGIES, INC. (US) 2013-06-18 US disclosed
WO-2012083954-A1 3-ACYL-INGENOLS II LEO PHARMA A/S (DK) 2012-06-28 WO disclosed
US-20100105604-A1 ALLYLOXY AND ALKYLOXY BENZOIC ACID DELIVERY AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2010-04-29 US disclosed
US-20100105604-A1 ALLYLOXY AND ALKYLOXY BENZOIC ACID DELIVERY AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2010-04-29 US disclosed
US-20100105604-A1 ALLYLOXY AND ALKYLOXY BENZOIC ACID DELIVERY AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2010-04-29 US disclosed
EP-2136624-A1 ALLYLQXY AND ALKYLOXY BENZOIC ACID DELIVERY AGENTS Emisphere Technologies, Inc. (US) 2009-12-30 EP disclosed
WO-2008116141-A1 ALLYLQXY AND ALKYLOXY BENZOIC ACID DELIVERY AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2008-09-25 WO disclosed
WO-2008116141-A1 ALLYLQXY AND ALKYLOXY BENZOIC ACID DELIVERY AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2008-09-25 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-20100105604-A1 ALLYLOXY AND ALKYLOXY BENZOIC ACID DELIVERY AGENTS ABCB11, TSPO, AADAC LIG1 3263/4885ALDH1A1 196/4885TSHR 3962/4885
US-20130331446-A1 3-ACYL-INGENOLS II IL33, CXCL8, MMP8 LIG1 2515/4885ALDH1A1 2403/4885TSHR 2365/4885
US-20240027903-A1 Resist Material And Patterning Process LBR, HNRNPU, EWSR1 LIG1 2541/4885ALDH1A1 4741/4885TSHR 2364/4885

“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.