SCHEMBL9155228

SCHEMBL9155228

C#CCOc1ccc(CCC)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
GSTP1 P09211 1/20 0.47
CA1 P00915 1/20 0.47
CA4 P22748 1/20 0.47
CA7 P43166 1/20 0.47
MAOA P21397 5/20 0.46
MAOB P27338 5/20 0.46
ALDH1A1 P00352 1/20 0.45
ACHE P22303 1/20 0.44
THRB P10828 2/20 0.42
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
THRA P10827 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.40
PLA2G1B P04054 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40

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
SCHEMBL10576015 0.89 THRB (0.49) CA12CA2CA9GSTP1CA1
SCHEMBL27659642 0.86 THRB (0.57) ALDH1A1ACHETHRBLMNAL3MBTL1
SCHEMBL7381752 0.84 CA12 (0.50) CA12CA2CA9GSTP1CA1
SCHEMBL4817978 0.81 NR3C1 (0.46) CA12CA2CA9GSTP1CA1
SCHEMBL5704167 0.81 CA12 (0.63) CA12CA2CA9GSTP1CA1
SCHEMBL18844813 0.81 TAAR1 (0.52) CA12CA2CA9GSTP1CA1
SCHEMBL10899332 0.81 ALDH1A1 (0.45) ALDH1A1THRBLMNAL3MBTL1KMT2A
SCHEMBL31725844 0.79 CA12 (0.53) CA12CA2CA9GSTP1CA1
SCHEMBL19543259 0.79 NQO1 (0.64) CA12CA2CA9GSTP1CA1
SCHEMBL16845306 0.79 ADAM17 (0.46) ALDH1A1THRBLMNAL3MBTL1

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
CN-109096212-A A kind of method of water phase one pot process 5-I-1,2,3- triazole compound 河南师范大学 2018-12-28 CN disclosed
US-20170312363-A1 MULTIFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE AND PREPARATION METHOD THEREFOR XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2017-11-02 US disclosed
US-9212381-B2 Methods and compositions for labeling polypeptides PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-12-15 US disclosed
US-20130122535-A1 METHODS AND COMPOSITIONS FOR LABELING POLYPEPTIDES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-05-16 US disclosed
EP-0333445-B1 Aromatic allene compounds and preparation thereof NIPPON PAINT CO LTD (JP) 1995-01-18 EP disclosed
US-5340931-A Chemical intermediates for allyl or vinyl ether polymers NIPPON PAINT CO., LTD. (JP) 1994-08-23 US disclosed
EP-0333445-A2 Aromatic allene compounds and preparation thereof NIPPON PAINT CO., LTD. (JP) 1989-09-20 EP 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-20170312363-A1 MULTIFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE AND PREPARATION METHOD THEREFOR HDGF, F11, F12 CA12 2348/4885CA2 4828/4885CA9 4423/4885

“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.