SCHEMBL20748002

SCHEMBL20748002

CC(C)(CCC(C)(C)c1coc2ccccc12)c1cccc2occc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.40
MAOA P21397 3/20 0.40
FTO Q9C0B1 1/20 0.40
KCNA3 P22001 1/20 0.36
CA2 P00918 1/20 0.34
SLC6A4 P31645 2/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
EED O75530 1/20 0.33
KCNA5 P22460 1/20 0.32
PTPN1 P18031 1/20 0.32
CYP2C19 P33261 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A1 P04798 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL22023990 0.78 KCNA3 (0.37) MAOBMAOAFTOKCNA3SLC6A4
SCHEMBL24897489 0.76 MAOB (0.33) MAOBMAOAFTO
SCHEMBL2607564 0.76 CA2 (0.41) MAOBMAOAFTOKCNA3CA2
SCHEMBL2607820 0.74 MAOB (0.40) MAOBMAOAFTOCA2PTPN1
SCHEMBL20227028 0.74 MAOB (0.35) MAOBMAOACA2CYP2C19CYP3A4
SCHEMBL29477140 0.73 MAOA (0.38) MAOBMAOAFTOKCNA3CA2
SCHEMBL23615738 0.72 MAOB (0.41) MAOBMAOACA2KCNA5PTPN1
SCHEMBL4012908 0.71 CA2 (0.42) MAOBMAOACA2PTPN1
SCHEMBL26247195 0.71 CA2 (0.40) MAOBMAOAFTOCA2SLC6A4
SCHEMBL6090241 0.69 MTNR1A (0.37) MAOBMAOAFTOKCNA3SLC6A4

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-20230372496-A1 TRICYCLIC HETEROBIFUNCTIONAL COMPOUNDS FOR DEGRADATION OF TARGETED PROTEINS C4 THERAPEUTICS, INC. (US) 2023-11-23 US disclosed
US-11718626-B2 Macrocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-08-08 US disclosed
US-20230233692-A1 COMPOUNDS FOR TARGETED DEGRADATION OF RET C4 THERAPEUTICS, INC. (US) 2023-07-27 US disclosed
US-11708320-B2 Environmentally-friendly hydroazidation of olefins GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2023-07-25 US disclosed
US-10981887-B2 Benzothiophene estrogen receptor modulators G1 THERAPEUTICS, INC. (US) 2021-04-20 US disclosed
US-20200216406-A1 BENZOTHIOPHENE ESTROGEN RECEPTOR MODULATORS G1 THERAPEUTICS, INC. (US) 2020-07-09 US disclosed
US-10633362-B2 Benzothiophene estrogen receptor modulators G1 THERAPEUTICS, INC. (US) 2020-04-28 US disclosed
US-20190119243-A1 BENZOTHIOPHENE ESTROGEN RECEPTOR MODULATORS G1 THERAPEUTICS, INC. (US) 2019-04-25 US disclosed
US-10208011-B2 Benzothiophene estrogen receptor modulators G1 THERAPEUTICS, INC. (US) 2019-02-19 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 (9 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-10981887-B2 Benzothiophene estrogen receptor modulators ESR1, GPER1, ESR2 MAOB 2656/4885MAOA 2724/4885FTO 3846/4885
US-20230372496-A1 TRICYCLIC HETEROBIFUNCTIONAL COMPOUNDS FOR DEGRADATION OF TARGETED PROTEINS CRBN, CDR2, MDM2 MAOB 1001/4885MAOA 1371/4885FTO 4500/4885
US-11718626-B2 Macrocyclic compounds for treatment of medical disorders CFD, TFPI, CFH MAOB 110/4885MAOA 251/4885FTO 4321/4885
US-10208011-B2 Benzothiophene estrogen receptor modulators ESR1, GPER1, ESR2 MAOB 2656/4885MAOA 2724/4885FTO 3846/4885
US-20200216406-A1 BENZOTHIOPHENE ESTROGEN RECEPTOR MODULATORS ESR1, GPER1, ESR2 MAOB 2656/4885MAOA 2724/4885FTO 3846/4885
US-10633362-B2 Benzothiophene estrogen receptor modulators ESR1, GPER1, ESR2 MAOB 2656/4885MAOA 2724/4885FTO 3846/4885
US-20190119243-A1 BENZOTHIOPHENE ESTROGEN RECEPTOR MODULATORS ESR1, GPER1, ESR2 MAOB 2656/4885MAOA 2724/4885FTO 3846/4885
US-20230233692-A1 COMPOUNDS FOR TARGETED DEGRADATION OF RET RET, HRAS, RBX1 MAOB 3047/4885MAOA 3211/4885FTO 4273/4885
US-11708320-B2 Environmentally-friendly hydroazidation of olefins HAO2, AHR, HMOX1 MAOB 361/4885MAOA 309/4885FTO 39/4885

“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.