SCHEMBL3476552

SCHEMBL3476552

C=C(C)C(=O)OCCCOC(=O)C1CCC(C2CCC(CCCCC)CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.51
▸ PKM P14618 1/20 0.39
▸ HTT P42858 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ THRB P10828 1/20 0.36
▸ CCR2 P41597 1/20 0.36
▸ POLB P06746 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ FKBP1A P62942 2/20 0.34
▸ LMNA P02545 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ NAAA Q02083 2/20 0.33

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
SCHEMBL15706230 0.98 TSHR (0.55) TSHRPKMHTTMEN1KMT2A
SCHEMBL803492 0.96 TSHR (0.57) TSHRPKMHTTMEN1KMT2A
SCHEMBL20664401 0.96 TSHR (0.57) TSHRPKMHTTMEN1KMT2A
SCHEMBL20664422 0.96 TSHR (0.57) TSHRPKMHTTMEN1KMT2A
SCHEMBL13400996 0.96 TSHR (0.55) TSHRPKMHTTMEN1KMT2A
SCHEMBL13400993 0.94 TSHR (0.59) TSHRPKMHTTMEN1KMT2A
SCHEMBL12205511 0.93 TSHR (0.55) TSHRPKMHTTMEN1KMT2A
SCHEMBL18503070 0.93 TSHR (0.61) TSHRPKMHTTMEN1KMT2A
SCHEMBL3478193 0.93 TSHR (0.47) TSHRPKMHTTGAAMAPT
SCHEMBL3478277 0.89 TSHR (0.52) TSHRHTTMEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372307-B2 Cyclohexylene reactive mesogens and their applications MERCK PATENT GMBH (DE) 2013-02-12 — — US disclosed
US-8372307-B2 Cyclohexylene reactive mesogens and their applications MERCK PATENT GMBH (DE) 2013-02-12 — — US disclosed
EP-2087067-B1 CYCLOHEXYLENE REACTIVE MESOGENS AND THEIR APPLICATIONS MERCK PATENT GMBH (DE) 2012-06-27 — — EP disclosed
US-20100103366-A1 Cyclohexylene Reactive Mesogens and Their Applications MERCK PATENT GMBH (DE) 2010-04-29 — — US disclosed
US-20100103366-A1 Cyclohexylene Reactive Mesogens and Their Applications MERCK PATENT GMBH (DE) 2010-04-29 — — US disclosed
EP-2087067-A1 CYCLOHEXYLENE REACTIVE MESOGENS AND THEIR APPLICATIONS Merck Patent GmbH (DE) 2009-08-12 — — EP disclosed
WO-2008061606-A1 CYCLOHEXYLENE REACTIVE MESOGENS AND THEIR APPLICATIONS MERCK PATENT GMBH (DE) 2008-05-29 — — WO 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 (1 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-20100103366-A1 Cyclohexylene Reactive Mesogens and Their Applications CUTA, MC1R, CTSG TSHR 3118/4885PKM 2912/4885HTT 194/4885

“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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