SCHEMBL9911450

SCHEMBL9911450

Clc1ccc(Cl)c(C2CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.46
▸ TAAR1 Q96RJ0 1/20 0.45
▸ CHRNB2 P17787 1/20 0.44
▸ CHRNA4 P43681 1/20 0.44
▸ HTR1A P08908 1/20 0.43
▸ ADRA1B P35368 1/20 0.43
▸ TSHR P16473 3/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ PTGDR Q13258 3/20 0.40
▸ PTGDR2 Q9Y5Y4 3/20 0.40
▸ CHRM4 P08173 2/20 0.40
▸ SLC9A1 P19634 1/20 0.40
▸ OPRL1 P41146 2/20 0.40
▸ PTGER2 P43116 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ AGTR1 P30556 1/20 0.39

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
SCHEMBL30997823 1.00 TP53 (0.46) TP53TAAR1CHRNB2CHRNA4HTR1A
SCHEMBL15566598 0.91 PTGDR2 (0.49) TP53CHRNB2CHRNA4HTR1AADRA1B
SCHEMBL126782 0.89 PTGDR2 (0.50) TP53CHRNB2CHRNA4HTR1AADRA1B
SCHEMBL3781719 0.83 CHRNB2 (0.61) TAAR1CHRNB2CHRNA4TSHRPTGDR
SCHEMBL433540 0.81 GAA (0.52) TP53TAAR1CHRNB2CHRNA4TSHR
SCHEMBL3783984 0.79 SLC6A2 (0.42) TP53HTR1ACYP3A4CHRM4OPRL1
SCHEMBL31075301 0.79 SLC9A1 (0.43) TP53CHRNB2CHRNA4HTR1AADRA1B
SCHEMBL25240757 0.78 HTR3A (0.58) CHRNB2CHRNA4HTR1A
SCHEMBL30464830 0.78 HTR3A (0.58) CHRNB2CHRNA4HTR1A
SCHEMBL3406995 0.77 CYP3A4 (0.45) TAAR1CHRNB2CHRNA4HTR1ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10442990-B2 Mesogenic compounds, liquid crystal media and components for high frequency technology MERCK PATENT GMBH (DE) 2019-10-15 — — US disclosed
US-10442990-B2 Mesogenic compounds, liquid crystal media and components for high frequency technology MERCK PATENT GMBH (DE) 2019-10-15 — — US disclosed
US-9765259-B2 Mesogenic compounds, liquid-crystalline media and components for high-frequency technology MERCK PATENT GMBH (DE) 2017-09-19 — — US disclosed
US-9765259-B2 Mesogenic compounds, liquid-crystalline media and components for high-frequency technology MERCK PATENT GMBH (DE) 2017-09-19 — — US disclosed
US-9765259-B2 Mesogenic compounds, liquid-crystalline media and components for high-frequency technology MERCK PATENT GMBH (DE) 2017-09-19 — — US disclosed
US-9752077-B2 Liquid-crystalline media, components for high-frequency technology, and mesogenic compounds MERCK PATENT GMBH (DE) 2017-09-05 — — US disclosed
US-9752077-B2 Liquid-crystalline media, components for high-frequency technology, and mesogenic compounds MERCK PATENT GMBH (DE) 2017-09-05 — — US disclosed
US-9752077-B2 Liquid-crystalline media, components for high-frequency technology, and mesogenic compounds MERCK PATENT GMBH (DE) 2017-09-05 — — US disclosed
US-9523037-B2 Liquid-crystalline media, components for high-frequency technology, and mesogenic compounds MERCK PATENT GMBH (DE) 2016-12-20 — — US disclosed
US-9523037-B2 Liquid-crystalline media, components for high-frequency technology, and mesogenic compounds MERCK PATENT GMBH (DE) 2016-12-20 — — US disclosed
WO-2012126563-A1 MESOGENIC COMPOUNDS, LIQUID CRYSTAL MEDIA AND COMPONENTS FOR HIGH FREQUENCY TECHNOLOGY MERCK PATENT GMBH (DE) 2012-09-27 — — WO disclosed
WO-2012126576-A1 MESOGEN COMPOUNDS, LIQUID CRYSTALLINE MEDIA AND COMPONENTS FOR HIGH FREQUENCY TECHNOLOGY MERCK PATENT GMBH (DE) 2012-09-27 — — WO disclosed
WO-2012126576-A1 MESOGEN COMPOUNDS, LIQUID CRYSTALLINE MEDIA AND COMPONENTS FOR HIGH FREQUENCY TECHNOLOGY MERCK PATENT GMBH (DE) 2012-09-27 — — WO disclosed
US-20120205583-A1 COMPOUNDS FOR A LIQUID CRYSTAL MEDIUM AND HIGH-FREQUENCY COMPONENTS CONTAINING SAID LIQUID CRYSTAL MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-08-16 — — US disclosed
US-20120205583-A1 COMPOUNDS FOR A LIQUID CRYSTAL MEDIUM AND HIGH-FREQUENCY COMPONENTS CONTAINING SAID LIQUID CRYSTAL MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-08-16 — — US disclosed
US-20120205583-A1 COMPOUNDS FOR A LIQUID CRYSTAL MEDIUM AND HIGH-FREQUENCY COMPONENTS CONTAINING SAID LIQUID CRYSTAL MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-08-16 — — US disclosed
WO-2012097853-A1 LIQUID CRYSTALLINE MEDIA, COMPONENTS FOR HIGH FREQUENCY TECHNOLOGY AND MESOGENIC COMPOUNDS MERCK PATENT GMBH (DE) 2012-07-26 — — WO disclosed
US-8198458-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-12 — — US disclosed
WO-2011035849-A1 COMPOUNDS FOR A LIQUID CRYSTAL MEDIUM AND HIGH-FREQUENCY COMPONENTS CONTAINING SAID LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2011-03-31 — — WO disclosed
US-20090143370-A1 Non-nucleoside Reverse Transcriptase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-04 — — 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-20120205583-A1 COMPOUNDS FOR A LIQUID CRYSTAL MEDIUM AND HIGH-FREQUENCY COMPONENTS CONTAINING SAID LIQUID CRYSTAL MEDIUM CHRM1, CXCR1, CCNL2 TP53 2819/4885TAAR1 180/4885CHRNB2 2187/4885
US-20090143370-A1 Non-nucleoside Reverse Transcriptase Inhibitors RTF1, POLR1A, POLR1E TP53 1977/4885TAAR1 1938/4885CHRNB2 3862/4885

“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.

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