SCHEMBL434707

SCHEMBL434707

C=C(C)/C=C(/C)P(=O)(O)O

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
CA2 P00918 1/20 0.30

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
SCHEMBL434708 1.00 ALDH1A1 (0.33) ALDH1A1TP53TSHRCA2
SCHEMBL11966909 1.00 ALDH1A1 (0.33) ALDH1A1TP53TSHRCA2
SCHEMBL6711475 0.72 KDM4E (0.33) CA2
SCHEMBL371466 0.69
SCHEMBL28792098 0.69
SCHEMBL335788 0.68
Phosphoric Acid SCHEMBL17423993 0.67 ALDH1A1 (0.39) ALDH1A1TP53TSHRCA2
Phosphoric Acid SCHEMBL22556996 0.67 ALDH1A1 (0.67) ALDH1A1TP53TSHRCA2
Phosphoric Acid SCHEMBL27467059 0.67 ALDH1A1 (0.67) ALDH1A1TP53TSHRCA2
Phosphoric Acid SCHEMBL28242570 0.67 ALDH1A1 (0.39) ALDH1A1TP53TSHRCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2721041-B1 NEW COUPLING AGENTS FOR ELASTOMER COMPOSITIONS RHODIA CHINA CO LTD (CN) 2018-06-13 EP disclosed
US-9758645-B2 Use of a precipitated silica containing titanium and a specific coupling agent in an elastomer composition RHODIA OPERATIONS (FR) 2017-09-12 US disclosed
US-9758645-B2 Use of a precipitated silica containing titanium and a specific coupling agent in an elastomer composition RHODIA OPERATIONS (FR) 2017-09-12 US disclosed
US-9217085-B2 Method of coating an inorganic substrate with a stable organic layer SOLVAY (CHINA) CO;. LTD (CN) 2015-12-22 US disclosed
US-20150284546-A1 Use of a precipitated silica containing titanium and a specific coupling agent in an elastomer composition RHODIA OPERATIONS (FR) 2015-10-08 US disclosed
US-20150284546-A1 Use of a precipitated silica containing titanium and a specific coupling agent in an elastomer composition RHODIA OPERATIONS (FR) 2015-10-08 US disclosed
US-9120917-B2 N-substituted acrylamides, preparation method and use thereof SOLVAY CHINA CO., LTD. (CN) 2015-09-01 US disclosed
US-9120917-B2 N-substituted acrylamides, preparation method and use thereof SOLVAY CHINA CO., LTD. (CN) 2015-09-01 US disclosed
US-9120917-B2 N-substituted acrylamides, preparation method and use thereof SOLVAY CHINA CO., LTD. (CN) 2015-09-01 US disclosed
US-8895775-B2 Method for preparing conjugated diene phosphonate compounds RHODIA OPERATIONS (FR) 2014-11-25 US disclosed
US-20120202958-A1 N-SUBSTITUTED ACRYLAMIDES, PREPARATION METHOD AND USE THEREOF SOLVAY (CHINA) CO., LTD. (CN) 2012-08-09 US disclosed
US-20120202957-A1 METHOD FOR PREPARING CONJUGATED DIENE PHOSPHONATE COMPOUNDS RHODIA (CHINA) CO., LTD. (CN) 2012-08-09 US disclosed
US-20120202958-A1 N-SUBSTITUTED ACRYLAMIDES, PREPARATION METHOD AND USE THEREOF SOLVAY (CHINA) CO., LTD. (CN) 2012-08-09 US disclosed
WO-2012009852-A1 METHOD OF COATING AN INORGANIC SUBSTRATE WITH A STABLE ORGANIC LAYER RHODIA (CHINA) CO., LTD. (CN) 2012-01-26 WO disclosed
WO-2011050534-A1 N-SUBSTITUTED ACRYLAMIDES, PREPARATION METHOD AND USE THEREOF RHODIA (CHINA) CO., LTD. (CN) 2011-05-05 WO disclosed
WO-2011050533-A1 METHOD FOR PREPARING CONJUGATED DIENE PHOSPHONATE COMPOUNDS RHODIA (CHINA) CO., LTD. (CN) 2011-05-05 WO disclosed
WO-2011050534-A1 N-SUBSTITUTED ACRYLAMIDES, PREPARATION METHOD AND USE THEREOF RHODIA (CHINA) CO., LTD. (CN) 2011-05-05 WO disclosed
EP-0090213-B1 PROCESS FOR THE PREPARATION OF DERIVATIVES OF VINYLPHOSPHONIC OR VINYLPYROPHOSPHONIC ACIDS HOECHST AKTIENGESELLSCHAFT (DE) 1985-05-02 EP disclosed
US-4507249-A Process for making derivatives of vinylphosphonic acid or vinylpyrophosphonic acid HOECHST AKTIENGESELLSCHAFT (DE) 1985-03-26 US disclosed
EP-0090213-A1 Process for the preparation of derivatives of vinylphosphonic or vinylpyrophosphonic acids HOECHST AKTIENGESELLSCHAFT (DE) 1983-10-05 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-20120202957-A1 METHOD FOR PREPARING CONJUGATED DIENE PHOSPHONATE COMPOUNDS PHOSPHO1, PNKP, PIK3CA ALDH1A1 93/4885TP53 3036/4885TSHR 3612/4885
US-20120202958-A1 N-SUBSTITUTED ACRYLAMIDES, PREPARATION METHOD AND USE THEREOF RAD54L, MASTL, ALK ALDH1A1 3273/4885TP53 653/4885TSHR 829/4885

“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.