SCHEMBL1162503

SCHEMBL1162503

[C]1C[C]c2ccccc2C1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.31

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
SCHEMBL9630603 0.79 — —
SCHEMBL2144679 0.79 — —
SCHEMBL1623564 0.70 — —
SCHEMBL157430 0.70 — —
SCHEMBL6594792 0.67 — —
SCHEMBL4121654 0.67 — —
SCHEMBL449280 0.65 HTR2C (0.31) —
SCHEMBL1374665 0.65 — —
SCHEMBL21267 0.65 — —
SCHEMBL3922537 0.64 MAOA (0.42) TSHR

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
US-8148551-B2 Tricyclic aromatics and liquid-crystalline medium MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2012-04-03 — — US disclosed
US-8029696-B2 Fused naphthalenes MERCK PATENT GMBH (DE) 2011-10-04 — — US disclosed
EP-2044172-B1 FUSED NAPHTHALENES MERCK PATENT GMBH (DE) 2011-06-22 — — EP disclosed
US-20110034469-A1 Heterocyclic Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-10 — — US disclosed
WO-2011016576-A1 ALANINE DERIVATIVES AS INHIBITORS OF APOPTOSIS PROTEINS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-10 — — WO disclosed
US-20100059711-A1 FUSED NAPHTHALENES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-03-11 — — US disclosed
US-20090131689-A1 TRICYCLIC AROMATICS AND LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2009-05-21 — — US disclosed
US-4783372-A RADIATION SENSITIVE POLYIMIDES FOR PROTECTIVE COATINGS AND PHOTOGRAPHIC RELIEF IMAGES CIBA-GEIGY CORPORATION (US) 1988-11-08 — — US disclosed
US-4680195-A POLYIMIDES WITH AROMATIC KETONE GROUPS, RELIEF IMAGES CIBA-GEIGY CORPORATION (US) 1987-07-14 — — 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 (3 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-20110034469-A1 Heterocyclic Compound BIRC5, XIAP, BIRC2 TSHR 3703/4885
US-20090131689-A1 TRICYCLIC AROMATICS AND LIQUID-CRYSTALLINE MEDIUM CHRM1, C1S, CHRM2 TSHR 959/4885
US-20100059711-A1 FUSED NAPHTHALENES CCNE2, CCNE1, F12 TSHR 3482/4885

“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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