SCHEMBL3432029

SCHEMBL3432029

C=CCc1ccc(OP(Oc2ccc(CC=C)cc2)Oc2ccc(CC=C)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
CYP3A4 P08684 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
TP53 P04637 1/20 0.61
ALOX15 P16050 1/20 0.61
TSHR P16473 1/20 0.61
ALOX12 P18054 1/20 0.61
PPARG P37231 2/20 0.41
PPARD Q03181 2/20 0.41
PPARA Q07869 1/20 0.41
XDH P47989 1/20 0.41
MAPT P10636 4/20 0.39
GABRA1 P14867 3/20 0.39
GABRB2 P47870 3/20 0.39
CNR2 P34972 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
GAA P10253 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH2 P05091 1/20 0.39

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
SCHEMBL9326643 0.83 ALDH1A1 (0.57) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL1160217 0.83 ALDH1A1 (0.57) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL9352993 0.79 ALDH1A1 (0.68) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL437832 0.79 ALDH1A1 (0.68) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL88416 0.79 ALDH1A1 (0.68) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL173301 0.78 ALDH1A1 (0.64) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL11499400 0.77 ALDH1A1 (0.50) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL2793675 0.77 ALDH1A1 (0.65) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL3744646 0.77 ALDH1A1 (0.65) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL2097190 0.77 ALDH1A1 (0.65) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9809514-B2 Method for producing (bromomethyl)cyclopropane and (bromomethyl)cyclobutane MELCHIOR MATERIAL AND LIFE SCIENCE FRANCE (FR) 2017-11-07 US claimed
US-20160355452-A1 METHOD FOR PRODUCING (BROMOMETHYL)CYCLOPROPANE AND (BROMOMETHYL)CYCLOBUTANE MELCHIOR MATERIAL AND LIFE SCIENCE FRANCE (FR) 2016-12-08 US claimed
EP-3092212-A1 METHOD FOR PRODUCING (BROMOMETHYL)CYCLOPROPANE AND (BROMOMETHYL)CYCLOBUTANE Melchior Material And Life Science France (FR) 2016-11-16 EP claimed
WO-2015101452-A1 METHOD FOR PRODUCING (BROMOMETHYL)CYCLOPROPANE AND (BROMOMETHYL)CYCLOBUTANE MELCHIOR MATERIAL AND LIFE SCIENCE FRANCE (FR) 2015-07-09 WO claimed
US-20080237555-A1 Scorch prevention in flexible polyurethane foams BROMINE COMPOUNDS LTD. (IL) 2008-10-02 US claimed
WO-2008075344-A2 SCORCH PREVENTION IN FLEXIBLE POLYURETHANE FOAMS BROMINE COMPOUNDS LTD. (IL) 2008-06-26 WO claimed
EP-0635209-B1 AQUATIC PEST CONTROL DRUG ASAHI DENKA KOGYO KK (JP) 2000-05-17 EP claimed
US-5505770-A CONTAINING AT LEAST ONE ALKYLPHENYL ESTER OF PHOSPHOROUS OR PHOSPHORIC ACID ASAHI DENKA KOGYO KABUSHIKI KAISHA (JP) 1996-04-09 US claimed
EP-0635209-A1 AQUATIC PEST CONTROL DRUG ASAHI DENKA KOGYO KABUSHIKI KAISHA (JP) 1995-01-25 EP claimed
US-3931364-A Color improvement of phosphate esters STAUFFER CHEMICAL COMPANY (US) 1976-01-06 US claimed
JP-55118990-A None JP disclosed
JP-54139893-A None JP disclosed
JP-9118793-A None JP disclosed
CN-104508031-B Phosphite compositions 瑞士新集团有限公司 2020-10-16 CN disclosed
EP-2880092-B1 PHOSPHITE COMPOSITIONS SI GROUP SWITZERLAND CHAA GMBH (CH) 2020-09-30 EP disclosed
US-4313840-A Heat transfer oil and method for driving a Freon turbine AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 1982-02-02 US disclosed
JP-S55118990-A HEAT TRANSFER OIL AGENCY OF IND SCIENCE & TECHNOL 1980-09-12 JP disclosed
US-4202844-A OXIDATION OF ORGANIC PHOSPHITES WITH NITROGEN DIOXIDE AS CATALYST TENNECO CHEMICALS, INC. (US) 1980-05-13 US disclosed
JP-S54139893-A HEAT MEDIUM FOR FLON TURBINE AGENCY OF IND SCIENCE & TECHNOL 1979-10-30 JP disclosed
US-4098707-A REACTION PRODUCT OF CHLORINATED WAX WITH TRIHYDROCARBYL PHOSPHITE MOBIL OIL CORPORATION (US) 1978-07-04 US 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 (1 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-20160355452-A1 METHOD FOR PRODUCING (BROMOMETHYL)CYCLOPROPANE AND (BROMOMETHYL)CYCLOBUTANE CYP51A1, CYP8B1, COASY ALDH1A1 3136/4885CYP3A4 191/4885SMN1; SMN2 3750/4885

“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.