SCHEMBL3390811

SCHEMBL3390811

C=COc1c(Br)cc(Br)cc1Br

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.35
ALOX15 P16050 4/20 0.34
ALOX12 P18054 3/20 0.34
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
AKR1B1 P15121 1/20 0.31
ERN1 O75460 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
KMT2A Q03164 1/20 0.31
GAA P10253 1/20 0.30
MAPT P10636 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
SCHEMBL7601421 0.85 APEX1 (0.39) CA2CA4
SCHEMBL3197733 0.75 ERN1 (0.40) TDP1CYP3A4TSHRHSD17B10ALOX15
SCHEMBL1045001 0.75 HSD17B10 (0.39) TDP1CYP3A4TSHRHSD17B10ALOX15
SCHEMBL20836258 0.71 HSD17B10 (0.37) TDP1CYP3A4TSHRHSD17B10ALOX15
SCHEMBL28973883 0.70 TDP1 (0.41) TDP1CYP3A4TSHRHSD17B10ALOX15
SCHEMBL11787406 0.70 KLK1 (0.36) TDP1CYP3A4TSHRHSD17B10ALDH1A1
SCHEMBL5832081 0.70 MAPK1 (0.58) TDP1TSHRALOX15ALOX12ALDH1A1
SCHEMBL9320354 0.70 HSD17B10 (0.36) TDP1CYP3A4TSHRHSD17B10ALOX15
SCHEMBL42433 0.70 LMNA (0.45) TSHRHSD17B10ALOX15ALOX12ALDH1A1
SCHEMBL3803700 0.69 TDP1 (0.45) TDP1CYP3A4TSHRHSD17B10ALOX15

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 9 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
US-3974092-A COMPOUND, 6B, ORGANOALUMINUM COMPOUND, ETHER OF OLEFIN ALCOHOL CHEMISCHE WERKE HULS AKTIENGESELLSCHAFT (DT) 1976-08-10 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 (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 TDP1 1676/4885CYP3A4 739/4885TSHR 3849/4885
US-20040162368-A1 Thiol compound derivative, hardening compositions containing these derivatives and molded articles thereof TST, NACA, CTH TDP1 1232/4885CYP3A4 1353/4885TSHR 4349/4885

“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.