SCHEMBL9498948

SCHEMBL9498948

C=C(C)OCCCCCC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.63
NAAA Q02083 1/20 0.52
CA12 O43570 3/20 0.50
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA9 Q16790 3/20 0.50
EPHX1 P07099 1/20 0.48
ALDH1A1 P00352 2/20 0.46
CES2 O00748 1/20 0.45
HCAR2 Q8TDS4 1/20 0.44
RAD52 P43351 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 1/20 0.43
THRB P10828 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.43
FAAH O00519 1/20 0.42
LMNA P02545 1/20 0.42
ACHE P22303 2/20 0.42

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
SCHEMBL11810777 1.00 TSHR (0.63) TSHRNAAACA12CA1CA2
SCHEMBL8978821 1.00 TSHR (0.63) TSHRNAAACA12CA1CA2
SCHEMBL27719654 1.00 TSHR (0.63) TSHRNAAACA12CA1CA2
SCHEMBL3896665 1.00 TSHR (0.63) TSHRNAAACA12CA1CA2
SCHEMBL11798288 1.00 TSHR (0.63) TSHRNAAACA12CA1CA2
SCHEMBL27917694 1.00 TSHR (0.63) TSHRNAAACA12CA1CA2
SCHEMBL17780661 1.00 TSHR (0.63) TSHRNAAACA12CA1CA2
SCHEMBL1819190 0.98 TSHR (0.61) TSHRNAAACA12CA1CA2
SCHEMBL9497231 0.97
SCHEMBL891903 0.90

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
CN-112300099-A Ketal derivatives of drugs, preparation method thereof, pharmaceutical compositions and uses 南开大学 2021-02-02 CN disclosed
CN-102559207-B Liquid crystal aligning agent, polymer, method for producing polymer, liquid crystal alignment film and liquid crystal display device JSR CORP 2015-01-14 CN disclosed
US-8641816-B2 Vinyl ether compounds and methods of their preparation and use DOW GLOBAL TECHNOLOGIES LLC (US) 2014-02-04 US disclosed
CN-102559207-A Liquid crystal aligning agent, polymer, method for producing polymer, liquid crystal alignment film and liquid crystal display device JSR CORP 2012-07-11 CN disclosed
US-20110105507-A1 VINYL ETHER COMPOUNDS AND METHODS OF THEIR PREPARATION AND USE DOW GLOBAL TECHNOLOGIES LLC 2011-05-05 US disclosed
US-7250267-B2 Cross-reactive sensors TRUSTEES OF TUFTS COLLEGE (US) 2007-07-31 US disclosed
US-20070122861-A1 CROSS-REACTIVE SENSORS TRUSTEES OF TUFTS COLLEGE 2007-05-31 US disclosed
EP-0272110-B1 ERYTHROMYCIN A DERIVATIVES AND METHOD FOR THE PREPARATION OF THE SAME TAISHO PHARMACEUTICAL CO. LTD (JP) 1993-04-07 EP disclosed
US-4990602-A Bactericides TAISHO PHARMACEUTICAL CO., LTD. (JP) 1991-02-05 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 (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-20110105507-A1 VINYL ETHER COMPOUNDS AND METHODS OF THEIR PREPARATION AND USE VCL, ETV6, ETV1 TSHR 2732/4885NAAA 3418/4885CA12 2708/4885

“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.