SCHEMBL9915574

SCHEMBL9915574

C=C1C(=O)Cc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 2/20 0.61
▸ BCHE P06276 1/20 0.61
▸ MAOA P21397 4/20 0.54
▸ ALDH1A1 P00352 6/20 0.47
▸ KDM4E B2RXH2 4/20 0.47
▸ HPGD P15428 2/20 0.47
▸ TDP2 O95551 1/20 0.45
▸ CASP3 P42574 1/20 0.45
▸ CASP7 P55210 1/20 0.45
▸ CASP9 P55211 1/20 0.45
▸ CASP6 P55212 1/20 0.45
▸ CASP8 Q14790 1/20 0.45
▸ MAP3K14 Q99558 1/20 0.45
▸ MAOB P27338 3/20 0.43
▸ CYP2A6 P11509 1/20 0.43
▸ CYP1A2 P05177 2/20 0.42
▸ RNASEH1 O60930 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ GAA P10253 1/20 0.40
▸ PKM P14618 1/20 0.40

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
SCHEMBL11172245 0.87 CES1 (0.57) CES1BCHEMAOAALDH1A1KDM4E
SCHEMBL11143500 0.82 CYP1A2 (0.61) CES1BCHEMAOAALDH1A1KDM4E
SCHEMBL4668953 0.80 MAOA (0.56) CES1BCHEMAOAALDH1A1KDM4E
SCHEMBL569873 0.80 — —
SCHEMBL31070117 0.80 — —
SCHEMBL8035811 0.80 CES1 (0.73) CES1BCHEMAOAALDH1A1KDM4E
SCHEMBL3788168 0.80 CES1 (0.58) CES1BCHEMAOAMAOBCYP2A6
SCHEMBL976344 0.76 CES1 (0.67) CES1BCHEMAOAALDH1A1KDM4E
SCHEMBL3638469 0.76 CES1 (0.67) CES1BCHEMAOAALDH1A1KDM4E
SCHEMBL18032688 0.76 CES1 (0.67) CES1BCHEMAOAALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160130560-A1 METHODS FOR IN VITRO MATURATION OF OVARIAN FOLLICLES LIU KUI (SE) 2016-05-12 — — US disclosed
US-9259438-B2 Methods for in vitro maturation of ovarian follicles LIU KUI (SE) 2016-02-16 — — US disclosed
US-20140213609-A1 PROMOTING AXON RENEGERATION IN THE ADULT CNS THROUGH CONTROL OF PROTEIN TRANSLATION CHILDREN'S MEDICAL CENTER CORPORATION (US) 2014-07-31 — — US disclosed
US-8728756-B2 Promoting axon regeneration in the adult CNS through control of protein translation CHILDREN'S MEDICAL CENTER CORPORATION (US) 2014-05-20 — — US disclosed
US-20130123228-A1 PROMOTING AXON REGENERATION IN THE ADULT CNS THROUGH CONTROL OF PROTEIN TRANSLATION CHILDREN'S MEDICAL CENTER CORPORATION (US) 2013-05-16 — — US disclosed
US-8367352-B2 Promoting axon regeneration in the adult CNS through control of protein translation CHILDREN'S MEDICAL CENTER CORPORATION (US) 2013-02-05 — — US disclosed
US-20120210523-A1 COMPOSITION COMPRISING AN ACID DYE OF INDIGOID TYPE AND DYEING METHOD L'OREAL (FR) 2012-08-23 — — US disclosed
US-8197722-B2 Irradiating the compound (containing two electron donor groups and a bridge of pi-conjugated bonds containing electron donor groups) with light, and the compound is converted to a multi-photon electronically excited state THE CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2012-06-12 — — US disclosed
US-20110015169-A1 METHODS FOR IN VITRO MATURATION OF OVARIAN FOLLICLES LIU KUI 2011-01-20 — — US disclosed
US-20110002877-A1 PTEN Inhibitors Treat Neutropenia-Associated Pneumonia CHILDREN'S MEDICAL CENTER CORPORATION 2011-01-06 — — US disclosed
EP-2236488-A1 Materials, methods and uses for photochemical generation of acids and/or radical species The Arizona Board of Regents on behalf of the University of Arizona (US) 2010-10-06 — — EP disclosed
US-20090305333-A1 Promoting Axon Regeneration in the Adult CNS through Control of Protein Translation NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-12-10 — — US disclosed
US-20090192173-A1 ANTI-TUBERCULAR DRUGS: COMPOSITIONS AND METHODS SEQUELLA, INC. 2009-07-30 — — US disclosed
US-20090092766-A1 GRAFT PATTERN FORMING METHOD AND CONDUCTIVE PATTERN FORMING METHOD FUJIFILM CORPORATION (JP) 2009-04-09 — — US disclosed
US-20080283804-A1 include a bridge of pi-conjugated bonds connecting electron donating or accepting groups; electronically excited upon absorption lead to formation of Lewis acidic species, Lewis basic species, radical species or ionic species; chromogens use in engineering, biological, and medicinal field CALIFORNIA INSTITUTE OF TECHNOLOGY 2008-11-20 — — US disclosed
US-20070203098-A1 Pten Inhibitors SEMAFORE PHARMACEUTICALS, INC. (US) 2007-08-30 — — 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 (7 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-20120210523-A1 COMPOSITION COMPRISING AN ACID DYE OF INDIGOID TYPE AND DYEING METHOD KRT18, H1-5, IK CES1 3911/4885BCHE 4435/4885MAOA 754/4885
US-20110002877-A1 PTEN Inhibitors Treat Neutropenia-Associated Pneumonia CSF3R, CSF1R, ATM CES1 4535/4885BCHE 4289/4885MAOA 4736/4885
US-20110015169-A1 METHODS FOR IN VITRO MATURATION OF OVARIAN FOLLICLES PTEN, POF1B, PTP4A2 CES1 4101/4885BCHE 4666/4885MAOA 1044/4885
US-20090192173-A1 ANTI-TUBERCULAR DRUGS: COMPOSITIONS AND METHODS RIF1, TERT, ELL CES1 3580/4885BCHE 442/4885MAOA 1983/4885
US-20130123228-A1 PROMOTING AXON REGENERATION IN THE ADULT CNS THROUGH CONTROL OF PROTEIN TRANSLATION GAP43, BDNF, DCX CES1 4254/4885BCHE 2056/4885MAOA 3695/4885
US-20070203098-A1 Pten Inhibitors PTEN, MTMR1, PTPRJ CES1 1635/4885BCHE 4554/4885MAOA 3933/4885
US-20140213609-A1 PROMOTING AXON RENEGERATION IN THE ADULT CNS THROUGH CONTROL OF PROTEIN TRANSLATION GAP43, DCX, BDNF CES1 4367/4885BCHE 1869/4885MAOA 3827/4885

“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.

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