SCHEMBL21045095

SCHEMBL21045095

O=C(CCCc1ccc(-c2ccccc2F)cc1)NC1COC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
TSHR P16473 2/20 0.58
CYP3A4 P08684 2/20 0.58
ALDH1A1 P00352 2/20 0.58
MEN1 O00255 1/20 0.58
MAPKAPK2 P49137 1/20 0.58
KMT2A Q03164 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
EPHX2 P34913 1/20 0.49
HCAR2 Q8TDS4 1/20 0.47
EPHX1 P07099 1/20 0.45
HPGD P15428 3/20 0.43
TP53 P04637 2/20 0.43
LMNA P02545 2/20 0.43
P2RX7 Q99572 1/20 0.43
USP2 O75604 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 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
SCHEMBL29411664 1.00 MAPT (0.58) MAPTTSHRCYP3A4ALDH1A1MEN1
SCHEMBL29411465 0.89 TSHR (0.56) MAPTTSHRCYP3A4ALDH1A1MEN1
SCHEMBL21045305 0.89 TSHR (0.56) MAPTTSHRCYP3A4ALDH1A1MEN1
SCHEMBL29411506 0.85 CYP3A4 (0.57) MAPTTSHRCYP3A4ALDH1A1MEN1
SCHEMBL21045322 0.85 CYP3A4 (0.57) MAPTTSHRCYP3A4ALDH1A1MEN1
SCHEMBL20465568 0.84 CYP3A4 (0.56) MAPTTSHRCYP3A4ALDH1A1MEN1
SCHEMBL21045363 0.83 ALDH1A1 (0.55) MAPTTSHRCYP3A4ALDH1A1MEN1
SCHEMBL21045150 0.83 CYP3A4 (0.55) MAPTTSHRCYP3A4ALDH1A1MEN1
SCHEMBL21045361 0.83 ALDH1A1 (0.55) MAPTTSHRCYP3A4ALDH1A1MEN1
SCHEMBL29411357 0.83 CYP3A4 (0.55) MAPTTSHRCYP3A4ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220089539-A1 TUBULIN INHIBITORS LIN BIOSCIENCE INC. (TW) 2022-03-24 US disclosed
US-11040945-B2 Tubulin inhibitors LIN BIOSCIENCE PTY LTD. 2021-06-22 US disclosed
US-11040945-B2 Tubulin inhibitors LIN BIOSCIENCE PTY LTD. 2021-06-22 US disclosed
WO-2019113242-A1 TUBULIN INHIBITORS Lin BioScience, LLC (US) 2019-06-13 WO disclosed
US-20190169127-A1 TUBULIN INHIBITORS LIN BIOSCIENCE INC. (TW) 2019-06-06 US disclosed
US-20190169127-A1 TUBULIN INHIBITORS LIN BIOSCIENCE INC. (TW) 2019-06-06 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-20220089539-A1 TUBULIN INHIBITORS TUBB3, TUBB1, TUBB MAPT 24/4885TSHR 4224/4885CYP3A4 3925/4885
US-11040945-B2 Tubulin inhibitors TUBB3, TUBB1, TUBB MAPT 24/4885TSHR 4224/4885CYP3A4 3925/4885
US-20190169127-A1 TUBULIN INHIBITORS TUBB3, TUBB1, TUBB MAPT 24/4885TSHR 4224/4885CYP3A4 3925/4885

“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.