SCHEMBL1005595

SCHEMBL1005595

[CH2]C(CC)c1cc(C)ccc1C

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.37
ALDH1A1 P00352 2/20 0.37
TAAR1 Q96RJ0 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
POLB P06746 1/20 0.33
LMNA P02545 2/20 0.33
NR3C1 P04150 1/20 0.33
NR3C2 P08235 1/20 0.33
TRPA1 O75762 1/20 0.32
CHRM1 P11229 1/20 0.32
SLC6A2 P23975 1/20 0.32
ADRA1A P35348 1/20 0.32
HTR2B P41595 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2A6 P11509 2/20 0.32
CRHR1 P34998 1/20 0.31
RAPGEF4 Q8WZA2 1/20 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
SCHEMBL27391010 0.77 TSHR (0.42) TDP1ALDH1A1TAAR1KMT2AMEN1
SCHEMBL1004078 0.76 ALDH1A1 (0.41) TDP1ALDH1A1TAAR1KMT2AMEN1
SCHEMBL8284306 0.75 ALDH1A1 (0.41) TDP1ALDH1A1TAAR1KMT2APOLB
SCHEMBL19231144 0.75 ALDH1A1 (0.41) TDP1ALDH1A1TAAR1KMT2APOLB
SCHEMBL9094407 0.75 HTT (0.40) TDP1ALDH1A1TAAR1KMT2AMEN1
SCHEMBL8133440 0.75 HTT (0.40) TDP1ALDH1A1TAAR1KMT2AMEN1
SCHEMBL27817525 0.74 TDP1 (0.39) TDP1ALDH1A1TAAR1KMT2AMEN1
SCHEMBL678497 0.74 ESR1 (0.46) ALDH1A1LMNACHRM1SLC6A2ADRA1A
Hydrochloric Acid SCHEMBL23527453 0.73 ALDH1A1 (0.40) TDP1ALDH1A1TAAR1KMT2APOLB
Hydrochloric Acid SCHEMBL4927027 0.73 ALDH1A1 (0.40) TDP1ALDH1A1TAAR1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1548020-B1 SILICON COMPOUND JNC CORP (JP) 2014-07-23 EP disclosed
US-8367792-B2 Polysiloxane compound and method of producing the same JNC CORPORATION (JP) 2013-02-05 US disclosed
US-20120208973-A1 POLYSILOXANE COMPOUND AND METHOD OF PRODUCING THE SAME OOTAKE NOBUMASA (JP) 2012-08-16 US disclosed
EP-1550664-B1 SILICON COMPOUND JNC CORP (JP) 2012-06-27 EP disclosed
US-8173758-B2 Polysiloxane compound and method of producing the same JNC CORPORATION (JP) 2012-05-08 US disclosed
US-20110178313-A1 POLYSILOXANE COMPOUND AND METHOD OF PRODUCING THE SAME OOTAKE NOBUMASA 2011-07-21 US disclosed
US-7964692-B2 Polymer obtained by addition-polymerization initiated by a silicon compound JNC CORPORATION (JP) 2011-06-21 US disclosed
US-7939617-B2 Silsesquioxane derivative; electronic material, optical material, optoelectronic material, paint, and primer. CHISSO CORPORATION (JP) 2011-05-10 US disclosed
US-7863396-B2 Silicon compounds CHISSO CORPORATION (JP) 2011-01-04 US disclosed
US-7662985-B2 Polysilsesquioxanes; addition-condensation copolymers CHISSO CORPORATION (JP) 2010-02-16 US disclosed
US-20050250925-A1 Silicon compound JNC CORPORATION (JP) 2005-11-10 US disclosed
US-20050215807-A1 Silsesquioxane derivative JNC CORPORATION (JP) 2005-09-29 US disclosed
EP-1550664-A1 SILICON COMPOUND CHISSO CORPORATION (JP) 2005-07-06 EP disclosed
EP-1548020-A1 SILICON COMPOUND CHISSO CORPORATION (JP) 2005-06-29 EP disclosed
US-20050033077-A1 Production process for silicon compound and the same JNC CORPORATION (JP) 2005-02-10 US disclosed
US-20040249103-A1 Silsesquioxane derivatives and process for production thereof JNC CORPORATION (JP) 2004-12-09 US disclosed
US-20040143081-A1 Novel silicon compounds and process for preparation thereof JNC CORPORATION (JP) 2004-07-22 US disclosed
EP-1428795-A1 SILSESQUIOXANE DERIVATIVES AND PROCESS FOR PRODUCTION THEREOF CHISSO CORPORATION (JP) 2004-06-16 EP disclosed
US-20040068074-A1 Production process for silsesquioxane derivative having functional group and silsesquioxane derivative JNC CORPORATION (JP) 2004-04-08 US disclosed
US-20040030084-A1 Production process for silsesquioxane derivative and silsesquioxane derivative JNC CORPORATION (JP) 2004-02-12 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-20110178313-A1 POLYSILOXANE COMPOUND AND METHOD OF PRODUCING THE SAME RPS4X, POLR2A, MSL1 TDP1 3092/4885ALDH1A1 2302/4885TAAR1 875/4885
US-20050215807-A1 Silsesquioxane derivative STS, SFXN1, SULT1A1 TDP1 4354/4885ALDH1A1 535/4885TAAR1 3559/4885
US-20120208973-A1 POLYSILOXANE COMPOUND AND METHOD OF PRODUCING THE SAME RPS4X, POLR2A, MSL1 TDP1 3092/4885ALDH1A1 2302/4885TAAR1 875/4885
US-20050033077-A1 Production process for silicon compound and the same STS, SMS, SFXN1 TDP1 4199/4885ALDH1A1 1081/4885TAAR1 516/4885

“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.