SCHEMBL13663403

SCHEMBL13663403

C/C(=C/C(C)C)c1ccccc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 2/20 0.43
▸ CES1 P23141 2/20 0.43
▸ GAA P10253 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ NPC1 O15118 4/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ KAT6A Q92794 1/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ POLB P06746 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35

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
SCHEMBL15086086 1.00 CES2 (0.43) CES2CES1GAAALDH1A1ALOX15
SCHEMBL11996662 0.82 CES2 (0.45) CES2CES1GAAALDH1A1ALOX15
SCHEMBL15705136 0.79 CES2 (0.39) CES2CES1GAAALDH1A1ALOX15
SCHEMBL4787890 0.79 CES2 (0.50) CES2CES1GAAALDH1A1ALOX15
SCHEMBL6920215 0.79 CES2 (0.50) CES2CES1GAAALDH1A1ALOX15
SCHEMBL28370184 0.79 CES2 (0.50) CES2CES1GAAALDH1A1ALOX15
SCHEMBL24863833 0.78 CES2 (0.42) CES2CES1GAAALDH1A1ALOX15
SCHEMBL17169104 0.78 CES2 (0.38) CES2CES1GAAALDH1A1ALOX15
SCHEMBL10018240 0.76 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2NPC1MEN1KMT2A
SCHEMBL8413968 0.76 ALDH1A1 (0.41) GAAALDH1A1ALOX15SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9580425-B2 Pyrido[3,4-b] indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2017-02-28 — — US disclosed
US-9580425-B2 Pyrido[3,4-b] indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2017-02-28 — — US disclosed
US-9469641-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-10-18 — — US disclosed
US-9271971-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-03-01 — — US disclosed
US-20150352087-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2015-12-10 — — US disclosed
US-9079904-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-07-14 — — US disclosed
US-9045482-B2 Pyrido[4,3-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-06-02 — — US disclosed
US-20150005322-A1 PYRIDO[3,4-B] INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2015-01-01 — — US disclosed
US-20130190323-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 — — US disclosed
US-20130184304-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-18 — — US disclosed
US-20130184306-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-18 — — US disclosed
US-20130137705-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2013-05-30 — — US disclosed
US-20130123277-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-05-16 — — US disclosed
US-20130079352-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-03-28 — — US disclosed
US-8338447-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2012-12-25 — — US disclosed
US-8338447-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2012-12-25 — — US disclosed
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2009-10-29 — — US disclosed
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2009-10-29 — — 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-20130184306-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C CES2 2242/4885CES1 4024/4885GAA 3526/4885
US-20150005322-A1 PYRIDO[3,4-B] INDOLES AND METHODS OF USE HTR3B, HTR2C, HTR4 CES2 2250/4885CES1 4021/4885GAA 3515/4885
US-20130184304-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C CES2 2196/4885CES1 4017/4885GAA 3525/4885
US-20130079352-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C CES2 2242/4885CES1 4024/4885GAA 3526/4885
US-20130123277-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR2C, HTR4 CES2 2307/4885CES1 4034/4885GAA 3481/4885
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C CES2 2242/4885CES1 4024/4885GAA 3526/4885
US-20130190323-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C CES2 2242/4885CES1 4024/4885GAA 3526/4885
US-20130137705-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C CES2 2242/4885CES1 4024/4885GAA 3526/4885
US-20150352087-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C CES2 2242/4885CES1 4024/4885GAA 3526/4885

“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.

Send feedback