SCHEMBL3922161

SCHEMBL3922161

OCCOc1cc(F)cc(F)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
RECQL P46063 1/20 0.48
SOD1 P00441 1/20 0.40
NR1I2 O75469 1/20 0.39
GAA P10253 1/20 0.37
DCK P27707 1/20 0.37
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA9 Q16790 2/20 0.37
LDHA P00338 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
CYP3A4 P08684 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDK2 Q15119 1/20 0.36

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
SCHEMBL1347871 0.88 SOD1 (0.39) ALDH1A1RECQLSOD1CA12CA1
SCHEMBL28920062 0.87 APP (0.45) ALDH1A1RECQLSOD1CYP3A4SMN1; SMN2
SCHEMBL16493130 0.86 ALDH1A1 (0.41) ALDH1A1RECQLNR1I2GAADCK
SCHEMBL16959387 0.86 CYP4F2 (0.54) ALDH1A1RECQLNR1I2GAADCK
SCHEMBL9713406 0.84 ALDH1A1 (0.48) ALDH1A1RECQLNR1I2GAACYP3A4
SCHEMBL16959384 0.82 ALDH1A1 (0.38) ALDH1A1RECQLSOD1NR1I2GAA
SCHEMBL5378158 0.82 ALDH1A1 (0.59) ALDH1A1RECQLNR1I2GAACA12
SCHEMBL16956441 0.81 ALDH1A1 (0.41) ALDH1A1RECQLNR1I2GAADCK
SCHEMBL16956444 0.81 ALDH1A1 (0.37) ALDH1A1RECQLNR1I2GAADCK
SCHEMBL18116610 0.80 SOD1 (0.42) SOD1CA12CA1CA9LDHA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240226073-A9 TETRAHYDRO-1H-PYRIDO[3,4-b]INDOLE ANTI-ESTROGENIC DRUGS OLEMA PHARMACEUTICALS, INC. 2024-07-11 US disclosed
US-20240226073-A9 TETRAHYDRO-1H-PYRIDO[3,4-b]INDOLE ANTI-ESTROGENIC DRUGS OLEMA PHARMACEUTICALS, INC. 2024-07-11 US disclosed
US-20240226073-A9 TETRAHYDRO-1H-PYRIDO[3,4-b]INDOLE ANTI-ESTROGENIC DRUGS OLEMA PHARMACEUTICALS, INC. 2024-07-11 US disclosed
US-20240131013-A1 TETRAHYDRO-1H-PYRIDO[3,4-b]INDOLE ANTI-ESTROGENIC DRUGS OLEMA PHARMACEUTICALS INC (US) 2024-04-25 US disclosed
US-11672785-B2 Tetrahydro-1H-pyrido [3,4-b]indole anti-estrogenic drugs OLEMA PHARMACEUTICALS, INC. (US) 2023-06-13 US disclosed
US-11672785-B2 Tetrahydro-1H-pyrido [3,4-b]indole anti-estrogenic drugs OLEMA PHARMACEUTICALS, INC. (US) 2023-06-13 US disclosed
US-11672785-B2 Tetrahydro-1H-pyrido [3,4-b]indole anti-estrogenic drugs OLEMA PHARMACEUTICALS, INC. (US) 2023-06-13 US disclosed
CN-115490723-A Chain-like halogenated phosphate and preparation method and application thereof 恒大新能源技术(深圳)有限公司 2022-12-20 CN disclosed
CN-115466286-A Chain-like halophosphite and preparation method and application thereof 恒大新能源技术(深圳)有限公司 2022-12-13 CN disclosed
US-20220370421-A1 TETRAHYDRO-1H-PYRIDO [3,4-b]INDOLE ANTI-ESTROGENIC DRUGS OLEMA PHARMACEUTICALS, INC. 2022-11-24 US disclosed
US-7071180-B2 Certain arylaliphatic and heteroaryl-aliphatic piperazinyl pyrazines and their use in the treatment of serotonin-related diseases BIOVITRUM AB (SE) 2006-07-04 US disclosed
US-20060116512-A1 Quinolines and nitrogenated derivatives thereof and their use as antibacterial agents GLAXO GROUP LIMITED (GB) 2006-06-01 US disclosed
EP-1178973-B1 PYRAZINYL-PIPERAZINE- COMPOUNDS, THEIR USE AND PREPARATION BIOVITRUM AB (SE) 2005-12-21 EP disclosed
EP-1567520-A2 QUINOLINES AND NITROGENATED DERIVATIVES THEREOF AND THEIR USE AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2005-08-31 EP disclosed
US-20040242554-A1 CERTAIN ARYLALIPHATIC AND HETEROARYL-ALIPHATIC PIPERAZINYL PYRAZINES AND THEIR USE IN THE TREATMENT OF SEROTONIN-RELATED DISEASES BIOVITRUM, AB, A STOCKHOLM, SWEDEN CORPORATION 2004-12-02 US disclosed
WO-2004050036-A2 QUINOLINES AND NITROGENATED DERIVATIVES THEREOF AND THEIR USE AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2004-06-17 WO disclosed
US-20030092694-A1 Certain arylaliphatic and heteroaryl-aliphatic piperazinyl pyrazines and their use in the treatment of serotonin-related diseases BIOVITRUM, AB, A STOCKHOLM, SWEDEN CORPORATION 2003-05-15 US disclosed
US-6465467-B1 DISEASES RELATED TO THE 5-HT2C RECEPTOR, ESPECIALLY EATING, MEMORY, MOOD, URINARY AND ANXIETY DISORDERS, SCHIZOPHRENIA, PAIN, SEXUAL DYSFUNCTIONS BIOVITRUM AB (SE) 2002-10-15 US disclosed
EP-1178973-A2 NOVEL COMPOUNDS, THEIR USE AND PREPARATION Pharmacia AB (SE) 2002-02-13 EP disclosed
WO-2000076984-A2 NOVEL COMPOUNDS, THEIR USE AND PREPARATION BIOVITRUM AB (SE) 2000-12-21 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 (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-20030092694-A1 Certain arylaliphatic and heteroaryl-aliphatic piperazinyl pyrazines and their use in the treatment of serotonin-related diseases HTR2C, HTR3C, HTR2A ALDH1A1 763/4885RECQL 2320/4885SOD1 3772/4885
US-20040242554-A1 CERTAIN ARYLALIPHATIC AND HETEROARYL-ALIPHATIC PIPERAZINYL PYRAZINES AND THEIR USE IN THE TREATMENT OF SEROTONIN-RELATED DISEASES HTR2C, HTR3C, HTR2A ALDH1A1 724/4885RECQL 2293/4885SOD1 3773/4885
US-11672785-B2 Tetrahydro-1H-pyrido [3,4-b]indole anti-estrogenic drugs ESR1, CYP19A1, HSD17B11 ALDH1A1 1842/4885RECQL 2916/4885SOD1 2408/4885
US-20240131013-A1 TETRAHYDRO-1H-PYRIDO[3,4-b]INDOLE ANTI-ESTROGENIC DRUGS ESR1, CYP19A1, HSD17B11 ALDH1A1 1842/4885RECQL 2916/4885SOD1 2408/4885
US-20060116512-A1 Quinolines and nitrogenated derivatives thereof and their use as antibacterial agents NQO2, NQO1, NPM1 ALDH1A1 3369/4885RECQL 151/4885SOD1 1978/4885
US-20240226073-A9 TETRAHYDRO-1H-PYRIDO[3,4-b]INDOLE ANTI-ESTROGENIC DRUGS ESR1, CYP19A1, HSD17B11 ALDH1A1 1842/4885RECQL 2916/4885SOD1 2408/4885
US-20220370421-A1 TETRAHYDRO-1H-PYRIDO [3,4-b]INDOLE ANTI-ESTROGENIC DRUGS ESR1, CYP19A1, HSD17B11 ALDH1A1 1842/4885RECQL 2916/4885SOD1 2408/4885

“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.