SCHEMBL460594

SCHEMBL460594

O=[C]C=CCCOCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
NAAA Q02083 1/20 0.41
IDO1 P14902 1/20 0.39
AGXT P21549 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
HCAR2 Q8TDS4 2/20 0.38
ALDH1A1 P00352 1/20 0.37
LTA4H P09960 1/20 0.36
TEAD3 Q99594 1/20 0.36
LMNA P02545 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL7058069 0.83 TSHR (0.47) TSHRNAAAIDO1AGXTSMN1; SMN2
SCHEMBL18660678 0.77 TSHR (0.52) TSHRNAAAIDO1AGXTSMN1; SMN2
SCHEMBL265425 0.77 TSHR (0.52) TSHRNAAAIDO1AGXTSMN1; SMN2
SCHEMBL3438765 0.77 TSHR (0.52) TSHRNAAAIDO1AGXTSMN1; SMN2
SCHEMBL7794029 0.77 TSHR (0.52) TSHRNAAAIDO1AGXTSMN1; SMN2
SCHEMBL2351836 0.76 HCAR2 (0.53) TSHRSMN1; SMN2HTTHCAR2ALDH1A1
SCHEMBL19990182 0.76 HCAR2 (0.53) TSHRSMN1; SMN2HTTHCAR2ALDH1A1
SCHEMBL1428305 0.76 TSHR (0.56) TSHRNAAAIDO1SMN1; SMN2HTT
SCHEMBL5254612 0.76 GPR52 (0.50) HCAR2
SCHEMBL146890 0.76 GPR52 (0.50) HCAR2

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9416084-B2 Method of producing ingenol-3-angelate LEO LABORATORIES LIMITED (IE) 2016-08-16 US claimed
US-12006311-B2 Compounds for use in preventing or treating cancer FUNDACIÓ HOSPITAL UNIVERSITARI VALL D'HEBRONINSTITUT DE RECERCA (ES) 2024-06-11 US disclosed
WO-2024083861-A1 1-(SULFONYL)-N-PHENYLPYRROLIDINE-2-CARBOXAMIDES DERIVATIVES AND USE THEREOF SELABTEC SCIENCES, SLU (ES) 2024-04-25 WO disclosed
EP-4356909-A1 1-(SULFONYL)-N-PHENYLPYRROLIDINE-2-CARBOXAMIDES DERIVATIVES AND USE THEREOF Selabtec Sciences, SLU (ES) 2024-04-24 EP disclosed
EP-3271468-B1 DEAMINATION OF ORGANOPHOSPHORUS-NUCLEOSIDES LABORATORIO TECNICO DE SEGURIDAD Y ESTANDARIZACION SL (ES) 2022-12-14 EP disclosed
US-20210230150-A1 COMPOUNDS FOR USE IN PREVENTING OR TREATING CANCER AMIRA THERAPEUTICS, S.L. (ES) 2021-07-29 US disclosed
EP-3813832-A1 COMPOUNDS FOR USE IN PREVENTING OR TREATING CANCER Fundació Hospital Universitari Vall d'Hebron - Institut de Recerca (ES) 2021-05-05 EP disclosed
EP-3640236-A1 A METHOD OF PRODUCING INGENOL-3-ANGELATE LEO LABORATORIES LIMITED (IE) 2020-04-22 EP disclosed
EP-2595948-B1 A METHOD OF PRODUCING INGENOL-3-ANGELATE LEO LABORATORIES LTD (IE) 2019-09-04 EP disclosed
US-20180066295-A1 DEAMINATION OF ORGANOPHOSPHORUS-NUCLEOSIDES LABORATORIO TECNICO DE SEGURIDAD Y ESTANDARIZACION, S.L.U. (ES) 2018-03-08 US disclosed
US-20150315118-A1 METHOD OF PRODUCING INGENOL-3-ANGELATE LEO LABORATORIES LIMITED (IE) 2015-11-05 US disclosed
US-20150175622-A1 3-O-HETEROARYL-INGENOL LEO LABORATORIES LIMITED (IE) 2015-06-25 US disclosed
EP-2864290-A2 3-O-HETEROARYL-INGENOL Leo Laboratories Limited (IE) 2015-04-29 EP disclosed
CN-104411685-A 3-o-heteroaryl-ingenol LEO LAB LTD 2015-03-11 CN disclosed
WO-2014191457-A1 METHODS OF SYNTHESIS OF INGENOL AND INTERMEDIATES THEREOF LEO LABORATORIES LIMITED (IE) 2014-12-04 WO disclosed
US-8901356-B2 Method of producing ingenol-3-angelate LEO LABORATORIES LIMITED (IE) 2014-12-02 US disclosed
WO-2014001215-A2 3-O-HETEROARYL-INGENOL LEO LABORATORIES LIMITED (IE) 2014-01-03 WO disclosed
US-20130177952-A1 METHOD OF PRODUCING INGENOL-3-ANGELATE Hogberg, Thomas (DK) 2013-07-11 US disclosed
EP-2595948-A1 A METHOD OF PRODUCING INGENOL-3-ANGELATE LEO LABORATORIES LIMITED (IE) 2013-05-29 EP disclosed
WO-2012010172-A1 A METHOD OF PRODUCING INGENOL-3-ANGELATE LEO PHARMA A/S (DK) 2012-01-26 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 (6 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-20150175622-A1 3-O-HETEROARYL-INGENOL VDR, RXRA, PPARG TSHR 793/4885NAAA 2428/4885IDO1 977/4885
US-20150315118-A1 METHOD OF PRODUCING INGENOL-3-ANGELATE PRKAG3, AMPD3, ERG28 TSHR 2588/4885NAAA 1356/4885IDO1 2407/4885
US-20130177952-A1 METHOD OF PRODUCING INGENOL-3-ANGELATE PRKAG3, AMPD3, ERG28 TSHR 2588/4885NAAA 1356/4885IDO1 2407/4885
US-20210230150-A1 COMPOUNDS FOR USE IN PREVENTING OR TREATING CANCER UGT1A3, UGT1A1, UGT1A6 TSHR 4736/4885NAAA 1615/4885IDO1 2846/4885
US-12006311-B2 Compounds for use in preventing or treating cancer UGT1A3, UGT1A1, UGT1A6 TSHR 4736/4885NAAA 1615/4885IDO1 2846/4885
US-20180066295-A1 DEAMINATION OF ORGANOPHOSPHORUS-NUCLEOSIDES ADA, CDA, DCTD TSHR 1415/4885NAAA 112/4885IDO1 1161/4885

“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.