SCHEMBL668221

SCHEMBL668221

C#CCOc1ccc(C(=O)OC)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.59
CYP2B6 P20813 1/20 0.54
KMT2A Q03164 4/20 0.54
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
PDE4B Q07343 1/20 0.53
TSHR P16473 3/20 0.50
MDH1 P40925 1/20 0.49
MDH2 P40926 1/20 0.49
MAOB P27338 2/20 0.49
MAPK1 P28482 1/20 0.49
MGLL Q99685 1/20 0.48
MEN1 O00255 3/20 0.47
LMNA P02545 1/20 0.47
ATM Q13315 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CA12 O43570 1/20 0.46

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
SCHEMBL666907 0.94 CYP2B6 (0.60) MAPTCYP2B6KMT2ACYP1A2CYP3A4
SCHEMBL2282278 0.90 TSHR (0.55) MAPTCYP2B6KMT2ACYP1A2CYP3A4
SCHEMBL12799701 0.87 MAOB (0.63) CYP2B6KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL2286794 0.87 TSHR (0.68) CYP2B6KMT2APDE4BTSHRMAOB
SCHEMBL2286198 0.85 CYP2B6 (0.54) CYP2B6KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL15595537 0.85 MAPT (0.59) MAPTKMT2ACYP1A2CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL4252982 0.85 TSHR (0.66) CYP2B6KMT2APDE4BTSHRMAOB
SCHEMBL14648692 0.85 KDM4E (0.50) MAPTCYP2B6KMT2ASMN1; SMN2PDE4B
SCHEMBL31747453 0.84 CYP2B6 (0.53) MAPTCYP2B6KMT2ACYP1A2CYP2C19
SCHEMBL21955097 0.84 MDH1 (0.46) MAPTCYP2B6KMT2ACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12435066-B2 Substituted tricyclic compounds LUPIN LIMITED (IN) 2025-10-07 US disclosed
CN-114746411-B Substituted tricyclic compounds 印度鲁宾有限公司 2024-06-25 CN disclosed
US-20240124938-A1 VISUAL DETECTION OF PBD INDUCED DNA CROSSLINKS INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2024-04-18 US disclosed
EP-4065575-B1 SUBSTITUTED TRICYCLIC COMPOUNDS LUPIN LTD (IN) 2024-01-31 EP disclosed
US-20230013778-A1 SUBSTITUTED TRICYCLIC COMPOUNDS LUPIN LIMITED (IN) 2023-01-19 US disclosed
US-20230013778-A1 SUBSTITUTED TRICYCLIC COMPOUNDS LUPIN LIMITED (IN) 2023-01-19 US disclosed
EP-4065575-A1 SUBSTITUTED TRICYCLIC COMPOUNDS Lupin Limited (IN) 2022-10-05 EP disclosed
EP-4045511-A1 VISUAL DETECTION OF PBD INDUCED DNA CROSSLINKS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2022-08-24 EP disclosed
CN-114746411-A Substituted tricyclic compounds 印度鲁宾有限公司 2022-07-12 CN disclosed
US-20220117231-A1 Combination of Novel Nitrification Inhibitors and Herbicides as Well as Combination of (Thio)Phosphoric Acid Triamides and Herbicides BASF SE (DE) 2022-04-21 US disclosed
US-9968092-B2 Combination of novel nitrification inhibitors and biopesticides as well as combination of (thio)phosphoric acid triamides and biopesticides BASF SE (DE) 2018-05-15 US disclosed
US-20170223964-A1 Combination of Novel Nitrification Inhibitors and Herbicides as Well as Combination of (Thio)Phosphoric Acid Triamides and Herbicides BASF SE (DE) 2017-08-10 US disclosed
US-20170223964-A1 Combination of Novel Nitrification Inhibitors and Herbicides as Well as Combination of (Thio)Phosphoric Acid Triamides and Herbicides BASF SE (DE) 2017-08-10 US disclosed
US-20170181435-A1 Combination of Novel Nitrification Inhibitors and Biopesticides as Well as Combination of (Thio)Phosphoric Acid Triamides and Biopesticides BASF SE (DE) 2017-06-29 US disclosed
US-20170181435-A1 Combination of Novel Nitrification Inhibitors and Biopesticides as Well as Combination of (Thio)Phosphoric Acid Triamides and Biopesticides BASF SE (DE) 2017-06-29 US disclosed
US-20170036969-A1 NITRIFICATION INHIBITORS BASF SE (DE) 2017-02-09 US disclosed
US-20170036969-A1 NITRIFICATION INHIBITORS BASF SE (DE) 2017-02-09 US disclosed
WO-2015158853-A1 NOVEL NITRIFICATION INHIBITORS BASF SE (DE) 2015-10-22 WO disclosed
WO-2015081349-A2 COMBINATION OF NOVEL NITRIFICATION INHIBITORS AND HERBICIDES AS WELL AS COMBINATION OF (THIO)PHOSPHORIC ACID TRIAMIDES AND HERBICIDES BASF SE (DE) 2015-06-04 WO disclosed
US-20120046461-A1 STEROIDAL ANTI-HORMONE HYBRIDS NORTHEASTERN UNIVERSITY (US) 2012-02-23 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 (8 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-20170036969-A1 NITRIFICATION INHIBITORS NOS1, NOS2, NOS3 MAPT 3764/4885CYP2B6 289/4885KMT2A 1097/4885
US-20230013778-A1 SUBSTITUTED TRICYCLIC COMPOUNDS SOS1, RSU1, KSR1 MAPT 150/4885CYP2B6 2709/4885KMT2A 4241/4885
US-20120046461-A1 STEROIDAL ANTI-HORMONE HYBRIDS ESRRA, ESRRB, NR5A1 MAPT 4598/4885CYP2B6 3333/4885KMT2A 3900/4885
US-20220117231-A1 Combination of Novel Nitrification Inhibitors and Herbicides as Well as Combination of (Thio)Phosphoric Acid Triamides and Herbicides NMT2, NAPRT, NAMPT MAPT 1437/4885CYP2B6 753/4885KMT2A 1433/4885
US-20170181435-A1 Combination of Novel Nitrification Inhibitors and Biopesticides as Well as Combination of (Thio)Phosphoric Acid Triamides and Biopesticides PRXL2A, NIT2, NAT1 MAPT 4431/4885CYP2B6 371/4885KMT2A 3605/4885
US-20240124938-A1 VISUAL DETECTION OF PBD INDUCED DNA CROSSLINKS LIG4, PCNA, ERCC5 MAPT 2720/4885CYP2B6 3202/4885KMT2A 1359/4885
US-20170223964-A1 Combination of Novel Nitrification Inhibitors and Herbicides as Well as Combination of (Thio)Phosphoric Acid Triamides and Herbicides NAT1, PRXL2A, DDAH1 MAPT 4472/4885CYP2B6 136/4885KMT2A 2199/4885
US-12435066-B2 Substituted tricyclic compounds SOS1, RSU1, KSR1 MAPT 150/4885CYP2B6 2709/4885KMT2A 4241/4885

“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.