SCHEMBL14112707

SCHEMBL14112707

CC(C)CC=P(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.37
HTR2A P28223 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
TSHR P16473 1/20 0.33
ASF1A Q9Y294 1/20 0.33
LMNA P02545 1/20 0.33
MMP1 P03956 1/20 0.33
MMP3 P08254 1/20 0.33

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
SCHEMBL7523787 0.82 LMNA (0.41) ALDH1A1L3MBTL1MEN1KMT2AGAA
SCHEMBL808442 0.77 MEN1 (0.39) ALDH1A1L3MBTL1MEN1KMT2AGAA
SCHEMBL27661786 0.75 MEN1 (0.38) ALDH1A1L3MBTL1MEN1KMT2AGAA
Bromide SCHEMBL28241411 0.75 MEN1 (0.38) ALDH1A1L3MBTL1MEN1KMT2AGAA
SCHEMBL808497 0.73 MEN1 (0.41) ALDH1A1L3MBTL1MEN1KMT2AGAA
SCHEMBL16161085 0.72 L3MBTL1 (0.36) ALDH1A1L3MBTL1MEN1KMT2AGAA
SCHEMBL5029456 0.70 ALDH1A1 (0.40) ALDH1A1L3MBTL1GAATSHRLMNA
SCHEMBL10665143 0.70 HSP90AA1 (0.35) ALDH1A1L3MBTL1MEN1KMT2AGAA
SCHEMBL7096547 0.70 ALDH1A1 (0.36) ALDH1A1L3MBTL1MEN1KMT2AGAA
SCHEMBL8190077 0.70 GAA (0.41) ALDH1A1MEN1KMT2AGAAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2789602-B1 Omega-halo-2-alkynal, method for producing the same, and method for producing conjugated Z-alken-yn-yl acetate using the same SHINETSU CHEMICAL CO (JP) 2017-12-27 EP disclosed
US-9550720-B2 Method for producing an ω-halo-2-alkynal SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-01-24 US disclosed
US-9376368-B2 Method for producing a conjugated Z-alken-yn-yl acetate SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-06-28 US disclosed
CN-104098452-B ω-halogen-2-alkynes aldehyde, produce its method and use it to produce the method for Z-chain Ene alkynyl base acetic acid esters of conjugation SHIN-ETSU CHEMICAL INDUSTRY CO., LTD. (JP) 2016-05-11 CN disclosed
US-20160107969-A1 METHOD FOR PRODUCING AN OMEGA-HALO-2-ALKYNAL SHINETSU CHEMICAL CO (JP) 2016-04-21 US disclosed
US-20160107978-A1 METHOD FOR PRODUCING A CONJUGATED Z-ALKEN-YN-YL ACETATE SHINETSU CHEMICAL CO (JP) 2016-04-21 US disclosed
US-9255056-B2 Omega-halo-2-alkynal SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-02-09 US disclosed
US-20140309452-A1 OMEGA-HALO-2-ALKYNAL, METHOD FOR PRODUCING SAME, AND METHOD FOR PRODUCING CONJUGATED Z-ALKEN-YN-YL ACETATE USING SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-10-16 US disclosed
EP-2789602-A1 Omega-halo-2-alkynal, method for producing same, and method for producing conjugated Z-alken-yn-yl acetate using same SHIN-ETSU CHEMICAL CO., LTD (JP) 2014-10-15 EP disclosed
US-20080171728-A1 Efficient Process for Preparing Steroids and Vitamin D Derivatives With the Unnatural Configuration at C20 (20 Alpha-Methyl) from Pregnenolone QUATRX PHARMACEUTICALS CO. 2008-07-17 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 (4 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-20140309452-A1 OMEGA-HALO-2-ALKYNAL, METHOD FOR PRODUCING SAME, AND METHOD FOR PRODUCING CONJUGATED Z-ALKEN-YN-YL ACETATE USING SAME NOTUM, SOAT2, FASN ALDH1A1 641/4885L3MBTL1 2312/4885HTR2A 1555/4885
US-20160107969-A1 METHOD FOR PRODUCING AN OMEGA-HALO-2-ALKYNAL HACL2, FASN, ALOX5 ALDH1A1 754/4885L3MBTL1 1489/4885HTR2A 944/4885
US-20080171728-A1 Efficient Process for Preparing Steroids and Vitamin D Derivatives With the Unnatural Configuration at C20 (20 Alpha-Methyl) from Pregnenolone CYP2R1, CYP24A1, VDR ALDH1A1 1232/4885L3MBTL1 4685/4885HTR2A 3114/4885
US-20160107978-A1 METHOD FOR PRODUCING A CONJUGATED Z-ALKEN-YN-YL ACETATE HACL2, FASN, ZYX ALDH1A1 742/4885L3MBTL1 977/4885HTR2A 1006/4885

“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.