SCHEMBL6595430

SCHEMBL6595430

CC(C)(C)c1nc2ccc(O)cc2o1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 13/20 0.55
ESR2 Q92731 13/20 0.55
APP P05067 4/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
LMNA P02545 1/20 0.43
STS P08842 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
SCHEMBL31379736 0.86 ESR1 (0.53) ESR1ESR2APPNPC1RAB9A
SCHEMBL4050390 0.82 ESR1 (0.53) ESR1ESR2APPNPC1RAB9A
SCHEMBL21231635 0.80 LMNA (0.44) ESR1ESR2NPC1RAB9ALMNA
SCHEMBL10220833 0.80 KDM4E (0.56) NPC1RAB9ALMNA
SCHEMBL2704182 0.80 LMNA (0.44) ESR1ESR2NPC1RAB9ALMNA
SCHEMBL17087993 0.79 LMNA (0.43) ESR1ESR2LMNA
SCHEMBL11929990 0.79 PIK3CG (0.56) RAB9ALMNA
SCHEMBL2706715 0.78 LMNA (0.56) ESR1ESR2NPC1RAB9ALMNA
SCHEMBL19749169 0.77 LMNA (0.54) ESR1ESR2NPC1RAB9ALMNA
SCHEMBL23641698 0.76 LMNA (0.41) ESR1ESR2NPC1RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12162871-B2 Inhibitors of VAP-1 ACUCELA INC. (US) 2024-12-10 US disclosed
US-11787791-B2 Inhibitors of VAP-1 ACUCELA INC. (US) 2023-10-17 US disclosed
US-11787791-B2 Inhibitors of VAP-1 ACUCELA INC. (US) 2023-10-17 US disclosed
US-11787791-B2 Inhibitors of VAP-1 ACUCELA INC. (US) 2023-10-17 US disclosed
US-20230295140-A1 INHIBITORS OF VAP-1 ACUCELA INC. 2023-09-21 US disclosed
US-20230295140-A1 INHIBITORS OF VAP-1 ACUCELA INC. 2023-09-21 US disclosed
US-20230295140-A1 INHIBITORS OF VAP-1 ACUCELA INC. 2023-09-21 US disclosed
US-20210387975-A1 INHIBITORS OF VAP-1 ACUCELA INC. 2021-12-16 US disclosed
US-20210387975-A1 INHIBITORS OF VAP-1 ACUCELA INC. 2021-12-16 US disclosed
EP-3856176-A2 INHIBITORS OF VAP-1 Acucela Inc. (US) 2021-08-04 EP disclosed
CN-113164454-A Inhibitors of VAP-1 奥克塞拉有限公司 2021-07-23 CN disclosed
WO-2020069330-A2 INHIBITORS OF VAP-1 ACUCELA INC. (US) 2020-04-02 WO disclosed
EP-1230227-B1 BENZOXA-AND BENZOTHIAZOLYL SULFAMATES AND THEIR USE AS STEROID SULFATASE INHIBITORS NOVARTIS AG (CH) 2004-06-23 EP disclosed
US-6716865-B1 SUBSTITUTED AT THE 2 POSITION; A SULFAMATE BOUND VIA OXYGEN TO THE PHENYL PART OF THE RING STRUCTURE; SULFAMOYLATION; STEROID SULFATASE INHIBITOR, ACNE NOVARTIS AG (CH) 2004-04-06 US disclosed
US-4741994-A PHENOL OR SULFONAMIDE COUPLER FUJI PHOTO FILM CO., LTD. (JP) 1988-05-03 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 (4 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-11787791-B2 Inhibitors of VAP-1 VAPB, VAPA, TOE1 ESR1 4245/4885ESR2 3315/4885APP 3512/4885
US-20230295140-A1 INHIBITORS OF VAP-1 VAPB, VAPA, TOE1 ESR1 4245/4885ESR2 3315/4885APP 3512/4885
US-20210387975-A1 INHIBITORS OF VAP-1 VAPB, VAPA, TOE1 ESR1 4245/4885ESR2 3315/4885APP 3512/4885
US-12162871-B2 Inhibitors of VAP-1 VAPB, VAPA, TOE1 ESR1 4245/4885ESR2 3315/4885APP 3512/4885

“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.