SCHEMBL3391634

SCHEMBL3391634

C=COc1ccc(I)cc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
APP P05067 13/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
CYP3A4 P08684 2/20 0.31
IDO1 P14902 2/20 0.31
LTA4H P09960 1/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 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
SCHEMBL473606 0.86 CHRNB2 (0.34) CA1CA2CA9CYP3A4CHRNB2
SCHEMBL11965976 0.78 ESR2 (0.33) CYP3A4CHRNB2CHRNA4
SCHEMBL14289128 0.78 ALDH1A1 (0.44) CYP3A4LTA4H
SCHEMBL194685 0.74 LMNA (0.42) APPCA1CA2CA9CYP3A4
SCHEMBL14605389 0.74 IDO1 (0.33) IDO1CHRNB2CHRNA4
SCHEMBL17186614 0.74 NPC1 (0.32) CHRNB2CHRNA4
SCHEMBL274124 0.74 CA1 (0.58) CA1CA2CA9CYP3A4LTA4H
SCHEMBL194091 0.74 ACHE (0.48) CA1CA2CA9CYP3A4
SCHEMBL2161453 0.74 CA1 (0.43) APPCA1CA2CA9CYP3A4
SCHEMBL126186 0.74 ALDH1A1 (0.58) CYP3A4CHRNB2CHRNA4

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
WO-2022173756-A1 ANTIBACTERIAL COMPOUNDS FORGE THERAPEUTICS, INC. (US) 2022-08-18 WO disclosed
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 APP 3221/4885CA1 1279/4885CA2 3511/4885
US-20040162368-A1 Thiol compound derivative, hardening compositions containing these derivatives and molded articles thereof TST, NACA, CTH APP 3254/4885CA1 2153/4885CA2 3843/4885

“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.