SCHEMBL21045305

SCHEMBL21045305

O=C(CCCc1ccc(-c2ccccc2F)cc1)NC1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
CYP3A4 P08684 2/20 0.56
MEN1 O00255 2/20 0.56
ALDH1A1 P00352 2/20 0.56
KMT2A Q03164 2/20 0.56
MAPT P10636 1/20 0.56
MAPKAPK2 P49137 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
EPHX2 P34913 1/20 0.53
EPHX1 P07099 1/20 0.49
HPGD P15428 3/20 0.46
TP53 P04637 2/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46
HCAR2 Q8TDS4 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL29411465 1.00 TSHR (0.56) TSHRCYP3A4MEN1ALDH1A1KMT2A
SCHEMBL29411664 0.89 MAPT (0.58) TSHRCYP3A4MEN1ALDH1A1KMT2A
SCHEMBL21045095 0.89 MAPT (0.58) TSHRCYP3A4MEN1ALDH1A1KMT2A
SCHEMBL21045322 0.88 CYP3A4 (0.57) TSHRCYP3A4MEN1ALDH1A1KMT2A
SCHEMBL29411506 0.88 CYP3A4 (0.57) TSHRCYP3A4MEN1ALDH1A1KMT2A
SCHEMBL20465568 0.87 CYP3A4 (0.56) TSHRCYP3A4MEN1ALDH1A1KMT2A
SCHEMBL21045361 0.86 ALDH1A1 (0.55) TSHRCYP3A4MEN1ALDH1A1KMT2A
SCHEMBL21045363 0.86 ALDH1A1 (0.55) TSHRCYP3A4MEN1ALDH1A1KMT2A
SCHEMBL21045150 0.86 CYP3A4 (0.55) TSHRCYP3A4MEN1ALDH1A1KMT2A
SCHEMBL29411357 0.86 CYP3A4 (0.55) TSHRCYP3A4MEN1ALDH1A1KMT2A

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 TSHR 4224/4885CYP3A4 3925/4885MEN1 955/4885
US-11040945-B2 Tubulin inhibitors TUBB3, TUBB1, TUBB TSHR 4224/4885CYP3A4 3925/4885MEN1 955/4885
US-20190169127-A1 TUBULIN INHIBITORS TUBB3, TUBB1, TUBB TSHR 4224/4885CYP3A4 3925/4885MEN1 955/4885

“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.