SCHEMBL15664456

SCHEMBL15664456

Nc1cc(C=O)ccc1OC(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
TSHR P16473 1/20 0.43
AOX1 Q06278 1/20 0.40
APP P05067 4/20 0.38
FDPS P14324 1/20 0.38
TRIM24 O15164 1/20 0.36
HPGD P15428 1/20 0.36
ALDH5A1 P51649 1/20 0.36
ABAT P80404 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36

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
SCHEMBL29958283 0.86 ALDH1A1 (0.43) ALDH1A1TSHRAOX1APPFDPS
SCHEMBL584601 0.80 EPHX2 (0.50) ALDH1A1TSHRAOX1APPFDPS
SCHEMBL12519223 0.79 ALDH1A1 (0.47) ALDH1A1TSHRAOX1APPFDPS
SCHEMBL29900301 0.79 ALDH1A1 (0.52) ALDH1A1TSHRAOX1APPFDPS
SCHEMBL29417672 0.79 ALDH1A1 (0.43) ALDH1A1TSHRAOX1APPFDPS
SCHEMBL24445666 0.79 ALDH1A1 (0.61) ALDH1A1TSHRAOX1APPFDPS
SCHEMBL851413 0.79 ALDH1A1 (0.52) ALDH1A1TSHRAOX1APPFDPS
SCHEMBL7857195 0.79 ALDH1A1 (0.43) ALDH1A1TSHRAOX1APPFDPS
SCHEMBL670456 0.79 ALDH1A1 (0.43) ALDH1A1TSHRAOX1APPFDPS
SCHEMBL30541287 0.79 ALDH1A1 (0.43) ALDH1A1TSHRAOX1APPFDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
CN-105753787-B Tumor-targeting drug Combretastatin A4 derivatives 南京圣和药业股份有限公司 2018-05-15 CN disclosed
EP-2730565-B1 TUMOR TARGETED DRUG COMBRETASTATIN A4 DERIVATIVE NANJING SANHOME PHARMACEUTICAL CO LTD (CN) 2017-04-26 EP disclosed
CN-105753787-A Tumor-targeting-medicine Combretastatin A4 derivatives 南京圣和药业股份有限公司 2016-07-13 CN disclosed
CN-103889964-B Tumor targeting drug Combretastatin A4 derivative NANJING SANHOME PHARMACEUTICAL CO.,LTD. (CN) 2016-03-02 CN disclosed
US-9139574-B2 Tumor targeted drug combretastatin A4 derivative NANJING SANHOME PHARMACEUTICAL CO., LTD. (CN) 2015-09-22 US disclosed
CN-102863388-B Tumor targeted drug Combretastatin A4 derivatives NANJING SANHOME PHARMACEUTICAL CO LTD 2015-04-29 CN disclosed
CN-103889964-A Tumor targeting drug Combretastatin A4 derivative NANJING SANHOME PHARMACEUTICAL CO LTD 2014-06-25 CN disclosed
EP-2730565-A1 TUMOR TARGETED DRUG COMBRETASTATIN A4 DERIVATIVE Nanjing Sanhome Pharmaceutical Co., Ltd. (CN) 2014-05-14 EP disclosed
US-20140128384-A1 TUMOR TARGETED DRUG COMBRETASTATIN A4 DERIVATIVE NANJING SANHOME PHARMACEUTICAL CO., LTD. (CN) 2014-05-08 US disclosed
CN-102863388-A Tumor targeted drug Combretastatin A4 derivatives NANJING SANHOME PHARMACEUTICAL CO LTD 2013-01-09 CN 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-20140128384-A1 TUMOR TARGETED DRUG COMBRETASTATIN A4 DERIVATIVE TUBA4A, TUBGCP4, TUBB4A ALDH1A1 3038/4885TSHR 2018/4885AOX1 4406/4885

“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.