SCHEMBL4199696

SCHEMBL4199696

[SiH3]C1C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.38
PDE4B Q07343 1/20 0.33
KMT2A Q03164 1/20 0.32
MAPK1 P28482 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
PTGS2 P35354 1/20 0.32
CYP1A2 P05177 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
CYP3A4 P08684 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NOTUM Q6P988 1/20 0.31
MMP3 P08254 1/20 0.31
BCL2L1 Q07817 1/20 0.31
P2RX7 Q99572 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
SCHEMBL7543945 0.76 ALDH1A1 (0.42) ALDH1A1LMNAPDE4BKMT2AMAPK1
SCHEMBL6569636 0.74 ALDH1A1 (0.40) ALDH1A1LMNAPDE4BKMT2AMAPK1
SCHEMBL6151904 0.74 ALDH1A1 (0.40) ALDH1A1LMNAPDE4BKMT2AMAPK1
SCHEMBL1089399 0.74 LMNA (0.43) ALDH1A1LMNAPDE4BKMT2AMAPK1
SCHEMBL146501 0.72 LMNA (0.41) ALDH1A1LMNAMAPK1CYP1A2MAPT
SCHEMBL18691989 0.72 LMNA (0.41) ALDH1A1LMNAMAPK1CYP1A2MAPT
Hydrochloric Acid SCHEMBL6817544 0.72 ALDH1A1 (0.38) ALDH1A1LMNAPDE4BKMT2AMAPK1
SCHEMBL15518760 0.70 LMNA (0.40) ALDH1A1LMNAMAPK1CYP1A2MAPT
SCHEMBL852224 0.69 ALDH1A1 (0.67) ALDH1A1LMNAPDE4BKMT2AMAPK1
SCHEMBL532969 0.69 ALDH1A1 (0.67) ALDH1A1LMNAPDE4BKMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090216044-A1 METHOD FOR SYNTHESIS OF KETO ACIDS OR AMINO ACIDS BY HYDRATION OF ACETYLENE COMPOUND JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2009-08-27 US disclosed
EP-1932824-A1 METHOD FOR SYNTHESIS OF KETO ACID OR AMINO ACID BY HYDRATION OF ACETHYLENE COMPOUND Japan Science and Technology Agency (JP) 2008-06-18 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 (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-20090216044-A1 METHOD FOR SYNTHESIS OF KETO ACIDS OR AMINO ACIDS BY HYDRATION OF ACETYLENE COMPOUND AADAT, BCAT2, BCAT1 ALDH1A1 1121/4885LMNA 1229/4885PDE4B 4885/4885

“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.