SCHEMBL3394069

SCHEMBL3394069

C=COc1ccc(N(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
TSHR P16473 3/20 0.50
ALOX15 P16050 2/20 0.50
HSD17B10 Q99714 2/20 0.50
SLC2A1 P11166 1/20 0.44
CYP2A6 P11509 1/20 0.41
CYP2A13 Q16696 1/20 0.41
CYP3A4 P08684 2/20 0.41
MAPK1 P28482 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
TP53 P04637 2/20 0.41
APP P05067 10/20 0.40
RELA Q04206 1/20 0.39
PTGS1 P23219 1/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ESR2 Q92731 1/20 0.38
NOX1 Q9Y5S8 1/20 0.38

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
SCHEMBL13839983 0.81 KDM4E (0.31) ALDH1A1CYP3A4TDP1MAPTKDM4E
SCHEMBL473606 0.80 CHRNB2 (0.34) ALDH1A1TSHRALOX15HSD17B10CYP3A4
SCHEMBL28787336 0.79 ALDH1A1 (0.52) ALDH1A1TSHRALOX15HSD17B10SLC2A1
SCHEMBL194828 0.77 CYP2A6 (0.52) ALDH1A1TSHRALOX15HSD17B10SLC2A1
SCHEMBL13665344 0.77 ALDH1A1 (0.50) ALDH1A1TSHRALOX15HSD17B10SLC2A1
SCHEMBL12925273 0.74 ALDH1A1 (0.45) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL274124 0.73 CA1 (0.58) ALDH1A1TSHRALOX15CYP2A6CYP3A4
SCHEMBL2536968 0.73 ALDH1A1 (0.58) ALDH1A1TSHRALOX15HSD17B10SLC2A1
SCHEMBL194091 0.73 ACHE (0.48) ALDH1A1TSHRCYP2A6CYP3A4TDP1
SCHEMBL13839981 0.72 ESR1 (0.43) ALDH1A1TSHRALOX15CYP3A4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1394153-B1 THIOL COMPOUND DERIVATIVES, HARDENING COMPOSITIONS CONTAINING THESE DERIVATIVES AND MOLDED ARTICLES THEREOF UNIMATEC CO LTD (JP) 2010-12-29 EP disclosed
US-7812157-B2 Thiol compound derivative, curable composition containing the derivative, and molded product thereof UNIMATEC CO., LTD. (JP) 2010-10-12 US disclosed
US-20080227977-A1 Thiol compound derivative, curable composition containing the derivative, and molded product thereof UNIMATEC CO., LTD. 2008-09-18 US disclosed
US-7384995-B2 Thiol compound derivative, curable composition containing the derivative, and molded product thereof UNIMATEC CO., LTD. (JP) 2008-06-10 US disclosed
US-20070155868-A1 Thiol compound derivative, curable composition containing the derivative, and molded product thereof UNIMATEC CO., LTD. 2007-07-05 US disclosed
US-7199169-B2 Thiol compound derivative, hardening compositions containing these derivatives and molded articles thereof UNIMATEC CO., LTD. (JP) 2007-04-03 US disclosed
US-20040162368-A1 Thiol compound derivative, hardening compositions containing these derivatives and molded articles thereof UNIMATEC CO., LTD. (JP) 2004-08-19 US disclosed
EP-1394153-A1 THIOL COMPOUND DERIVATIVES, HARDENING COMPOSITIONS CONTAINING THESE DERIVATIVES AND MOLDED ARTICLES THEREOF Unimatec Co., Ltd. (JP) 2004-03-03 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-20080227977-A1 Thiol compound derivative, curable composition containing the derivative, and molded product thereof TST, CTH, NACA ALDH1A1 577/4885TSHR 3849/4885ALOX15 1959/4885
US-20040162368-A1 Thiol compound derivative, hardening compositions containing these derivatives and molded articles thereof TST, NACA, CTH ALDH1A1 188/4885TSHR 4349/4885ALOX15 1107/4885

“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.