SCHEMBL1306241

SCHEMBL1306241

Ic1ccc(C#Cc2ccc(I)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APP P05067 11/20 0.47
MAPT P10636 1/20 0.39
HDAC8 Q9BY41 1/20 0.35
TPMT P51580 1/20 0.35
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GRM5 P41594 1/20 0.33
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL20015758 1.00 APP (0.47) APPMAPTHDAC8TPMTCA1
SCHEMBL2037596 0.91 APP (0.48) APPMAPTTPMT
SCHEMBL16501329 0.88 APP (0.67) APPMAPTCA1CA2KDM4E
SCHEMBL16675523 0.86 CYP1A1 (0.50) APPMAPTHDAC8CA1CA2
SCHEMBL21564900 0.86 GRM5 (0.52) APPMAPTCA1CA2MEN1
SCHEMBL16675512 0.86 CYP1A1 (0.50) APPMAPTHDAC8CA1CA2
SCHEMBL2865734 0.86 APP (0.74) APPMAPTMEN1ALDH1A1RAB9A
SCHEMBL5484564 0.84 APP (0.41) APPHDAC8TPMT
SCHEMBL3431838 0.82 APP (0.39) APP
SCHEMBL9333106 0.82 CYP1A1 (0.52) APPMAPTHDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE46426-E1 Birefringent polymer film with negative optical dispersion MERCK PATENT GMBH (DE) 2017-06-06 US disclosed
US-8289494-B2 Birefringent polymer film with negative optical dispersion MERCK PATENT GMBH (DE) 2012-10-16 US disclosed
US-8053588-B2 organosilane compounds used as raw materials for synthesis of organosilicon polymer thin films, having a refractive-index controlling function, a light absorbing function, a light emitting function, and a charge transferring function KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2011-11-08 US disclosed
US-8053588-B2 organosilane compounds used as raw materials for synthesis of organosilicon polymer thin films, having a refractive-index controlling function, a light absorbing function, a light emitting function, and a charge transferring function KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2011-11-08 US disclosed
EP-2129743-B1 BIREFRINGENT POLYMER FILM WITH NEGATIVE OPTICAL DISPERSION MERCK PATENT GMBH (DE) 2010-11-10 EP disclosed
US-20100110362-A1 Birefringent Polymer Film with Negative Optical Dispersion PARRI OWAIN LLYR 2010-05-06 US disclosed
EP-2129743-A1 BIREFRINGENT POLYMER FILM WITH NEGATIVE OPTICAL DISPERSION Merck Patent GmbH (DE) 2009-12-09 EP disclosed
WO-2008119427-A1 BIREFRINGENT POLYMER FILM WITH NEGATIVE OPTICAL DISPERSION MERCK PATENT GMBH (DE) 2008-10-09 WO disclosed
US-20080227939-A1 Organosilane compound and organosilica obtained therefrom KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2008-09-18 US disclosed
US-20080227939-A1 Organosilane compound and organosilica obtained therefrom KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2008-09-18 US disclosed
US-5876830-A Method of assembly of molecular-sized nets and scaffolding BOARD OF REGENTS OF THE UNIVERSITY OF COLORADO (US) 1999-03-02 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-20100110362-A1 Birefringent Polymer Film with Negative Optical Dispersion PUF60, LCP1, MAP1LC3C APP 1198/4885MAPT 16/4885HDAC8 4644/4885
US-20080227939-A1 Organosilane compound and organosilica obtained therefrom CARM1, PRMT1, PRMT8 APP 4377/4885MAPT 4797/4885HDAC8 885/4885

“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.