Sugi Predict

Sugi Predict / Compounds / SCHEMBL315926

SCHEMBL315926

SCHEMBL315926

COC(=O)CCC(=O)c1cccc(F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTNNB1 P35222 5/20 0.54
▸ WNT3A P56704 5/20 0.54
▸ KDM4E B2RXH2 4/20 0.50
▸ NPC1 O15118 4/20 0.50
▸ MEN1 O00255 4/20 0.50
▸ LMNA P02545 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ MAPT P10636 3/20 0.50
▸ HPGD P15428 3/20 0.50
▸ HTT P42858 3/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ TSHR P16473 2/20 0.50
▸ ALOX12 P18054 1/20 0.50
▸ CES2 O00748 1/20 0.50
▸ CES1 P23141 1/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.49
▸ KCNH2 Q12809 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49

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
SCHEMBL2056918 0.87 MEN1 (0.56) CTNNB1WNT3AKDM4ENPC1MEN1
SCHEMBL5313798 0.84 NPC1 (0.57) CTNNB1WNT3AKDM4ENPC1MEN1
SCHEMBL7924653 0.84 SMN1; SMN2 (0.46) CTNNB1WNT3AMEN1LMNAKMT2A
SCHEMBL31478419 0.83 TSHR (0.48) KDM4EMEN1LMNAKMT2AMAPT
SCHEMBL11632592 0.82 CTNNB1 (0.52) CTNNB1WNT3AKDM4ENPC1MEN1
SCHEMBL22868041 0.82 CTNNB1 (0.66) CTNNB1WNT3AKDM4EMEN1LMNA
SCHEMBL7959814 0.81 CTNNB1 (0.57) CTNNB1WNT3AKDM4ENPC1MEN1
SCHEMBL3588375 0.81 CTNNB1 (0.60) CTNNB1WNT3ANPC1MEN1KMT2A
SCHEMBL30416977 0.81 CTNNB1 (0.60) CTNNB1WNT3ANPC1MEN1KMT2A
SCHEMBL11064521 0.81 KDM4E (0.47) CTNNB1WNT3AKDM4ENPC1MEN1

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 84 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210284606-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ROCHE PALO ALTO LLC (US) 2021-09-16 — — US disclosed
US-20210284606-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ROCHE PALO ALTO LLC (US) 2021-09-16 — — US disclosed
US-20200115333-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ROCHE PALO ALTO LLC (US) 2020-04-16 — — US disclosed
US-20200115333-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ROCHE PALO ALTO LLC (US) 2020-04-16 — — US disclosed
US-20180319743-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ROCHE PALO ALTO LLC (US) 2018-11-08 — — US disclosed
US-20170247321-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ROCHE PALO ALTO LLC (US) 2017-08-31 — — US disclosed
US-20170247321-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ROCHE PALO ALTO LLC (US) 2017-08-31 — — US disclosed
US-20170247321-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ROCHE PALO ALTO LLC (US) 2017-08-31 — — US disclosed
US-9670151-B2 Tetralin and indane derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2017-06-06 — — US disclosed
US-9670151-B2 Tetralin and indane derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2017-06-06 — — US disclosed
US-20060154965-A1 Tetralin and indane derivatives and uses thereof ROCHE PALO ALTO LLC 2006-07-13 — — US disclosed
WO-2006066748-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF AS 5-HT ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-29 — — WO disclosed
WO-2006066745-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF F.HOFFMANN-LA ROCHE AG (CH) 2006-06-29 — — WO disclosed
WO-2006066790-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2006-06-29 — — WO disclosed
CN-1191232-C Aminomethylcarboxylic acid derivs AKZO NOBEL NV (NL) 2005-03-02 — — CN disclosed
EP-1100769-B1 AMINOMETHYLCARBOXYLIC ACID DERIVATIVES AKZO NOBEL NV (NL) 2002-12-04 — — EP disclosed
US-6410592-B1 THERAPY FOR CENTRAL NERVOUS SYSTEM DISORDERS, PSYCHOLOGICAL DISORDERS AKZO NOBEL N.V. (NL) 2002-06-25 — — US disclosed
CN-1309631-A Aminomethylcarboxylic acid derivs AKZO NOBEL NV (NL) 2001-08-22 — — CN disclosed
EP-1100769-A1 AMINOMETHYLCARBOXYLIC ACID DERIVATIVES Akzo Nobel N.V. (NL) 2001-05-23 — — EP disclosed
WO-2000007978-A1 AMINOMETHYLCARBOXYLIC ACID DERIVATIVES AKZO NOBEL N.V. (NL) 2000-02-17 — — WO 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-20060154965-A1 Tetralin and indane derivatives and uses thereof INSRR, RIF1, TTR CTNNB1 3158/4885WNT3A 3903/4885KDM4E 4726/4885
US-20180319743-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF CYP3A7, PARK7, IPO5 CTNNB1 3978/4885WNT3A 2619/4885KDM4E 4577/4885
US-20210284606-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ERLIN1, INSRR, PSEN1 CTNNB1 3428/4885WNT3A 3598/4885KDM4E 4617/4885
US-20200115333-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ERLIN1, INSRR, PSEN1 CTNNB1 3428/4885WNT3A 3598/4885KDM4E 4617/4885
US-20170247321-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ERLIN1, INSRR, PSEN1 CTNNB1 3428/4885WNT3A 3598/4885KDM4E 4617/4885

“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.