SCHEMBL14484902

SCHEMBL14484902

CCOC(=O)Cn1ccc2c(F)cc(F)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ MAPT P10636 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HK1 P19367 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HKDC1 Q2TB90 1/20 0.41
▸ POLB P06746 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ KDM4E B2RXH2 4/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ CRHBP P24387 1/20 0.38
▸ CRHR2 Q13324 1/20 0.38

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
SCHEMBL17924282 0.82 ALDH1A1 (0.59) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL14487638 0.80 KMT2A (0.46) KDM4EKMT2A
SCHEMBL20037274 0.80 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL15724364 0.78 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2KDM4E
SCHEMBL14485081 0.78 HTR2A (0.48) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL20512455 0.76 ALDH1A1 (0.42) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL28599079 0.74 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL13261931 0.73 ALDH1A1 (0.54) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL24479731 0.73 LMNA (0.59) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL879966 0.72 ALDH1A1 (0.53) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2023-01-12 — — US disclosed
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2023-01-12 — — US disclosed
US-11034668-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2021-06-15 — — US disclosed
US-11034668-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2021-06-15 — — US disclosed
US-10370358-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2019-08-06 — — US disclosed
US-10370358-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2019-08-06 — — US disclosed
US-20180194746-A1 Compounds For the Treatment of HIV GILEAD SCIENCES, INC. 2018-07-12 — — US disclosed
US-20180194746-A1 Compounds For the Treatment of HIV GILEAD SCIENCES, INC. 2018-07-12 — — US disclosed
US-20180194746-A1 Compounds For the Treatment of HIV GILEAD SCIENCES, INC. 2018-07-12 — — US disclosed
US-9944619-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2018-04-17 — — US disclosed
US-9944619-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2018-04-17 — — US disclosed
US-9944619-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2018-04-17 — — US disclosed
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 — — US disclosed
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 — — US disclosed
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 — — US disclosed
US-9540343-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2017-01-10 — — US disclosed
EP-2729448-B1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES INC (US) 2015-09-09 — — EP disclosed
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2014-05-22 — — US disclosed
EP-2729448-A1 COMPOUNDS FOR THE TREATMENT OF HIV Gilead Sciences, Inc. (US) 2014-05-14 — — EP disclosed
WO-2013006738-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2013-01-10 — — 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 (6 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-10370358-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN ALDH1A1 649/4885CYP1A2 489/4885CYP3A4 247/4885
US-20180194746-A1 Compounds For the Treatment of HIV CCR5, NPC1, FURIN ALDH1A1 649/4885CYP1A2 489/4885CYP3A4 247/4885
US-11034668-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN ALDH1A1 649/4885CYP1A2 489/4885CYP3A4 247/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN ALDH1A1 649/4885CYP1A2 489/4885CYP3A4 247/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN ALDH1A1 649/4885CYP1A2 489/4885CYP3A4 247/4885
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN ALDH1A1 649/4885CYP1A2 489/4885CYP3A4 247/4885

“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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