SCHEMBL434700

SCHEMBL434700

c1ccc(-c2ccc(C(OC(c3ccccc3)c3ccc(-c4ccccc4)cc3)c3ccccc3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.52
CHRNA4 P43681 1/20 0.52
ACP3 P15309 2/20 0.47
CYP3A4 P08684 4/20 0.46
ALDH1A1 P00352 3/20 0.45
IDO1 P14902 4/20 0.43
TDO2 P48775 3/20 0.43
PTGS2 P35354 1/20 0.43
MAPK1 P28482 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
MEN1 O00255 1/20 0.40
NR1I2 O75469 1/20 0.40
USP2 O75604 1/20 0.40
ABCB11 O95342 1/20 0.40
PLA2G1B P04054 1/20 0.40
TP53 P04637 1/20 0.40
CYP17A1 P05093 1/20 0.40
PGR P06401 1/20 0.40
HSP90AA1 P07900 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL127629 0.87 IDO1 (0.46) IDO1TDO2MAPK1HTR2AADRA1A
Water SCHEMBL11878861 0.84 IDO1 (0.44) IDO1TDO2MAPK1HTR2AADRA1A
Ammonia Solution, Strong SCHEMBL7282272 0.84 IDO1 (0.44) IDO1TDO2MAPK1HTR2AADRA1A
Methane SCHEMBL29089947 0.84 IDO1 (0.44) IDO1TDO2MAPK1HTR2AADRA1A
SCHEMBL9097250 0.81 SMN1; SMN2 (0.50) CHRNB2CHRNA4ACP3CYP3A4ALDH1A1
SCHEMBL16743446 0.81 ACP3 (0.48) CHRNB2CHRNA4ACP3CYP3A4ALDH1A1
SCHEMBL3924304 0.78 IDO1 (0.47) CYP3A4ALDH1A1IDO1TDO2TDP1
SCHEMBL10981079 0.78 IDO1 (0.67) ALDH1A1IDO1TDO2TDP1MEN1
SCHEMBL11500414 0.78 LMNA (0.46) IDO1TDO2MEN1HPGDHTR2A
SCHEMBL3597509 0.78 HTR2A (0.54) ALDH1A1IDO1TDO2MAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-3645548-B1 METHODS FOR PREPARING BILE ACIDS MEDYTOX INC (KR) 2023-11-29 EP disclosed
EP-3271468-B1 DEAMINATION OF ORGANOPHOSPHORUS-NUCLEOSIDES LABORATORIO TECNICO DE SEGURIDAD Y ESTANDARIZACION SL (ES) 2022-12-14 EP disclosed
CN-107849594-B Deamination of organophosphorus nucleosides 科技学专业学院有限公司 2022-01-18 CN disclosed
US-20220009957-A1 Methods for Preparing Bile Acids MEDYTOX INC. (KR) 2022-01-13 US disclosed
US-11161872-B2 Methods for preparing bile acids MEDYTOX INC. (KR) 2021-11-02 US 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
WO-2016146808-A1 DEAMINATION OF ORGANOPHOSPHORUS-NUCLEOSIDES INSTITUT UNIV. DE CIÈNCIA I TECNOLOGIA, S. A. (ES) 2016-09-22 WO disclosed
US-9416084-B2 Method of producing ingenol-3-angelate LEO LABORATORIES LIMITED (IE) 2016-08-16 US disclosed
US-20160107977-A1 METHODS OF SYNTHESIS OF INGENOL AND INTERMEDIATES THEREOF LEO LABORATORIES LIMITED (IE) 2016-04-21 US disclosed
EP-3004036-A1 METHODS OF SYNTHESIS OF INGENOL AND INTERMEDIATES THEREOF Leo Laboratories Limited (IE) 2016-04-13 EP disclosed
US-20150315118-A1 METHOD OF PRODUCING INGENOL-3-ANGELATE LEO LABORATORIES LIMITED (IE) 2015-11-05 US 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
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 (7 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-20150315118-A1 METHOD OF PRODUCING INGENOL-3-ANGELATE PRKAG3, AMPD3, ERG28 CHRNB2 3128/4885CHRNA4 3225/4885ACP3 258/4885
US-20220009957-A1 Methods for Preparing Bile Acids DHCR7, CYP46A1, CYP27A1 CHRNB2 3594/4885CHRNA4 4087/4885ACP3 134/4885
US-20160107977-A1 METHODS OF SYNTHESIS OF INGENOL AND INTERMEDIATES THEREOF CYP51A1, ERG28, UTP20 CHRNB2 3589/4885CHRNA4 3458/4885ACP3 1969/4885
US-20130177952-A1 METHOD OF PRODUCING INGENOL-3-ANGELATE PRKAG3, AMPD3, ERG28 CHRNB2 3128/4885CHRNA4 3225/4885ACP3 258/4885
US-11161872-B2 Methods for preparing bile acids DHCR7, CYP46A1, CYP27A1 CHRNB2 3594/4885CHRNA4 4087/4885ACP3 134/4885
US-20210230150-A1 COMPOUNDS FOR USE IN PREVENTING OR TREATING CANCER UGT1A3, UGT1A1, UGT1A6 CHRNB2 3057/4885CHRNA4 3766/4885ACP3 91/4885
US-12006311-B2 Compounds for use in preventing or treating cancer UGT1A3, UGT1A1, UGT1A6 CHRNB2 3057/4885CHRNA4 3766/4885ACP3 91/4885

“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.