SCHEMBL14101198

SCHEMBL14101198

Cc1ccccc1[P@@](C)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.46
ESR2 Q92731 3/20 0.46
TSHR P16473 4/20 0.41
ACHE P22303 3/20 0.41
CYP3A4 P08684 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
ALDH1A1 P00352 3/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
LMNA P02545 1/20 0.33
ALOX12 P18054 1/20 0.33
ALKBH5 Q6P6C2 1/20 0.32
FTO Q9C0B1 1/20 0.32
DRD1 P21728 2/20 0.32
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
CYP2A6 P11509 2/20 0.31
CYP1A2 P05177 2/20 0.31

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
SCHEMBL4918290 1.00 ESR1 (0.46) ESR1ESR2TSHRACHECYP3A4
SCHEMBL3785328 0.98 ESR1 (0.45) ESR1ESR2TSHRACHECYP3A4
SCHEMBL5810167 0.85 ESR1 (0.54) ESR1ESR2TSHRACHECYP3A4
SCHEMBL3962146 0.85 ESR1 (0.54) ESR1ESR2TSHRACHECYP3A4
SCHEMBL9405363 0.85 TSHR (0.50) ESR1ESR2TSHRACHECYP3A4
SCHEMBL15657838 0.85 ESR1 (0.42) ESR1ESR2TSHRACHECYP3A4
SCHEMBL8165677 0.81 TSHR (0.41) ESR1ESR2TSHRACHECYP3A4
SCHEMBL258915 0.80 ACHE (0.36) TSHRACHEALDH1A1CA1CA2
SCHEMBL49618 0.78 CYP3A4 (0.52) ESR1ESR2TSHRACHECYP3A4
SCHEMBL3632062 0.78 ESR1 (0.48) ESR1ESR2CYP3A4TDP1DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200407381-A1 C-BULKY P-CHIROGENIC ORGANOPHOSPHORUS COMPOUNDS Université de Bourgogne (FR) 2020-12-31 US disclosed
US-9707553-B2 P-chirogenic organophosphorus compounds CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2017-07-18 US disclosed
US-20160023199-A1 P-CHIROGENIC ORGANOPHOSPHORUS COMPOUNDS SYNTHELOR SAS (FR) 2016-01-28 US disclosed
US-9186661-B2 P-chirogenic organophosphorus compounds CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2015-11-17 US disclosed
US-20140142325-A1 P-CHIROGENIC ORGANOPHOSPHORUS COMPOUNDS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE(CNRS) (FR) 2014-05-22 US disclosed
EP-1577314-B1 Catalyst based on a transition metal complex for polymerization of olefins, and process for polymerization of olefins using the catalyst TOSOH CORP (JP) 2008-08-27 EP 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 (2 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-20200407381-A1 C-BULKY P-CHIROGENIC ORGANOPHOSPHORUS COMPOUNDS PLCG1, PLCG2, ACHE ESR1 3791/4885ESR2 4047/4885TSHR 3498/4885
US-20160023199-A1 P-CHIROGENIC ORGANOPHOSPHORUS COMPOUNDS ACHE, PTMS, DDT ESR1 4818/4885ESR2 4771/4885TSHR 3601/4885

“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.