SCHEMBL12401802

SCHEMBL12401802

CCOc1c(F)cc(C(C)(C)C)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.39
HTT P42858 2/20 0.36
LMNA P02545 1/20 0.36
ALDH1A1 P00352 3/20 0.36
NPC1 O15118 1/20 0.35
AR P10275 1/20 0.35
RXRA P19793 3/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
ALOX5AP P20292 1/20 0.32
PDE2A O00408 1/20 0.32
PPARG P37231 2/20 0.32
PDE5A O76074 1/20 0.32
RARG P13631 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
SCHEMBL12390575 0.87 PDE5A (0.37) HTTALDH1A1RXRASMN1; SMN2ALOX5AP
SCHEMBL3841470 0.78 LMNA (0.40) CYP2C19HTTLMNAALDH1A1NPC1
SCHEMBL12504658 0.77 LMNA (0.39) CYP2C19HTTLMNAALDH1A1KDM4E
SCHEMBL11349119 0.76 LMNA (0.41) CYP2C19HTTLMNAALDH1A1NPC1
SCHEMBL12468232 0.75 HTR2A (0.39) HTTLMNAALDH1A1NPC1SMN1; SMN2
SCHEMBL10541024 0.74 PDE2A (0.44) CYP2C19HTTLMNAALDH1A1CYP1A2
SCHEMBL19354878 0.72 POLB (0.38) CYP2C19HTTLMNAALDH1A1RXRA
SCHEMBL12412421 0.71 CYP2C19 (0.64) CYP2C19HTTLMNAALDH1A1RXRA
SCHEMBL9967840 0.71 KDM1A (0.47) CYP2C19HTTALDH1A1SMN1; SMN2KDM4E
SCHEMBL12401801 0.71 POLB (0.43) HTTALDH1A1RXRASMN1; SMN2KDM4E

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-11214541-B2 Substituted 6,7-dihydro-5H-benzo[7]annulene compounds, processes for their preparation and therapeutic uses thereof SANOFI (FR) 2022-01-04 US disclosed
US-20210323916-A1 NOVEL SUBSTITUTED 6,7-DIHYDRO-5H-BENZO[7]ANNULENE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF SANOFI (FR) 2021-10-21 US disclosed
US-20200392081-A1 NOVEL SUBSTITUTED 6,7-DIHYDRO-5H-BENZO[7]ANNULENE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF SANOFI (FR) 2020-12-17 US disclosed
US-20180079720-A1 NOVEL SUBSTITUTED 6,7-DIHYDRO-5H-BENZO[7]ANNULENE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF SANOFI (FR) 2018-03-22 US disclosed
US-20170253569-A1 THIAZOLIDINONE COMPOUNDS AND USE THEREOF REGENTS OF THE UNIVERSITY OF MINNESOTA 2017-09-07 US disclosed
US-20170253569-A1 THIAZOLIDINONE COMPOUNDS AND USE THEREOF REGENTS OF THE UNIVERSITY OF MINNESOTA 2017-09-07 US disclosed
US-20170233340-A1 NOVEL SUBSTITUTED 6,7-DIHYDRO-5H-BENZO[7]ANNULENE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF SANOFI (FR) 2017-08-17 US disclosed
US-20170233340-A1 NOVEL SUBSTITUTED 6,7-DIHYDRO-5H-BENZO[7]ANNULENE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF SANOFI (FR) 2017-08-17 US disclosed
US-8440706-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-14 US disclosed
US-8372873-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-12 US disclosed
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-28 US disclosed
US-7985762-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-26 US disclosed
US-20110165120-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-07 US disclosed
US-7964624-B1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-21 US disclosed
US-20070179167-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 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-11214541-B2 Substituted 6,7-dihydro-5H-benzo[7]annulene compounds, processes for their preparation and therapeutic uses thereof CYP19A1, ESR1, GPER1 CYP2C19 193/4885HTT 3705/4885LMNA 4563/4885
US-20110165120-A1 INHIBITORS OF SERINE PROTEASES PRSS1, PRSS3, PRSS2 CYP2C19 1191/4885HTT 3023/4885LMNA 2814/4885
US-20210323916-A1 NOVEL SUBSTITUTED 6,7-DIHYDRO-5H-BENZO[7]ANNULENE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF CYP19A1, ESR1, ESR2 CYP2C19 167/4885HTT 3892/4885LMNA 4675/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 CYP2C19 1191/4885HTT 3023/4885LMNA 2814/4885
US-20200392081-A1 NOVEL SUBSTITUTED 6,7-DIHYDRO-5H-BENZO[7]ANNULENE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF CYP19A1, ESR1, ESR2 CYP2C19 167/4885HTT 3892/4885LMNA 4675/4885
US-20180079720-A1 NOVEL SUBSTITUTED 6,7-DIHYDRO-5H-BENZO[7]ANNULENE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF CYP19A1, ESR1, ESR2 CYP2C19 167/4885HTT 3892/4885LMNA 4675/4885
US-20170253569-A1 THIAZOLIDINONE COMPOUNDS AND USE THEREOF OPRL1, OPRD1, OPRK1 CYP2C19 99/4885HTT 1160/4885LMNA 4327/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 CYP2C19 1096/4885HTT 3200/4885LMNA 2850/4885
US-20170233340-A1 NOVEL SUBSTITUTED 6,7-DIHYDRO-5H-BENZO[7]ANNULENE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF CYP19A1, ESR1, ESR2 CYP2C19 167/4885HTT 3892/4885LMNA 4675/4885

“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.