SCHEMBL21045474

SCHEMBL21045474

O=C(CCCc1ccc(C(F)(F)F)cc1)Nc1ccc(O)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.68
ALDH1A1 P00352 2/20 0.60
MAPT P10636 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
MEN1 O00255 1/20 0.60
CYP3A4 P08684 1/20 0.60
TSHR P16473 1/20 0.60
MAPKAPK2 P49137 1/20 0.60
KMT2A Q03164 1/20 0.60
MTOR P42345 1/20 0.59
HDAC1 Q13547 2/20 0.52
HDAC8 Q9BY41 2/20 0.52
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52

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
SCHEMBL21045398 0.86 TRPV1 (0.68) TRPV1ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL2063079 0.82 NLRP3 (0.70) MAPTMEN1KMT2AMTORHDAC1
SCHEMBL23054850 0.82 EPHX2 (0.61) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL20508340 0.81 TRPV1 (0.73) TRPV1ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL3542181 0.80 HDAC3 (0.58) TRPV1ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL23255535 0.80 MCHR1 (0.46) TRPV1HDAC1HDAC8HDAC3HDAC4
SCHEMBL22190367 0.79 HDAC1 (0.74) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL13676145 0.79 TRPV1 (0.60) TRPV1HDAC1HDAC8HDAC3HDAC4
SCHEMBL22298784 0.79 KCNQ3 (0.57) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL22298790 0.79 KCNQ3 (0.57) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A

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
US-20250188035-A1 TUBULIN INHIBITORS LIN BIOSCIENCE LLC (US) 2025-06-12 US disclosed
US-12247010-B2 Tubulin inhibitors LIN BIOSCIENCE INC. (TW) 2025-03-11 US disclosed
US-20220089539-A1 TUBULIN INHIBITORS LIN BIOSCIENCE INC. (TW) 2022-03-24 US disclosed
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 (5 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 TRPV1 4663/4885ALDH1A1 3048/4885MAPT 24/4885
US-12247010-B2 Tubulin inhibitors TUBB3, TUBB1, TUBB TRPV1 4663/4885ALDH1A1 3048/4885MAPT 24/4885
US-11040945-B2 Tubulin inhibitors TUBB3, TUBB1, TUBB TRPV1 4663/4885ALDH1A1 3048/4885MAPT 24/4885
US-20250188035-A1 TUBULIN INHIBITORS TUBB3, TUBB1, TUBB TRPV1 4663/4885ALDH1A1 3048/4885MAPT 24/4885
US-20190169127-A1 TUBULIN INHIBITORS TUBB3, TUBB1, TUBB TRPV1 4663/4885ALDH1A1 3048/4885MAPT 24/4885

“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.