SCHEMBL19111147

SCHEMBL19111147

CC(C)(C)Cc1ccc2nc3ccc(CC(C)(C)C)cc3nc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.45
▸ NQO2 P16083 5/20 0.39
▸ MEN1 O00255 5/20 0.35
▸ NPC1 O15118 5/20 0.35
▸ KMT2A Q03164 5/20 0.35
▸ RAB9A P51151 4/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ THRA P10827 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ CYP2C19 P33261 2/20 0.33
▸ USP2 O75604 2/20 0.33
▸ MAPK10 P53779 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ CACNA1B Q00975 1/20 0.32
▸ APBA1 Q02410 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL22951467 0.94 NQO2 (0.48) ESR1NQO2MEN1NPC1KMT2A
SCHEMBL24604651 0.90 TDP1 (0.42) ESR1NQO2MEN1NPC1KMT2A
SCHEMBL9968624 0.79 ESR1 (0.42) ESR1MEN1NPC1KMT2ARAB9A
SCHEMBL23896788 0.79 ESR1 (0.35) ESR1NPC1RAB9ASMN1; SMN2USP2
SCHEMBL10202929 0.78 KCNJ1 (0.49) ESR1KDM4ESMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL12595077 0.78 PTPN11 (0.48) ESR1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL22951475 0.77 ALDH1A1 (0.52) ESR1NQO2MEN1KMT2AKDM4E
SCHEMBL22951223 0.77 HTR3A (0.53) ESR1NQO2MEN1KMT2AKDM4E
SCHEMBL24634739 0.76 ESR1 (0.39) ESR1THRATHRB
SCHEMBL19170649 0.76 ESR1 (0.39) ESR1THRATHRBPSMB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9931379-B2 Oxyntomodulin analogs and methods of making and using same THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2018-04-03 — — US disclosed
US-9931379-B2 Oxyntomodulin analogs and methods of making and using same THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2018-04-03 — — US disclosed
US-20170196940-A1 OXYNTOMODULIN ANALOGS AND METHODS OF MAKING AND USING SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-07-13 — — US disclosed
US-20170196940-A1 OXYNTOMODULIN ANALOGS AND METHODS OF MAKING AND USING SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-07-13 — — 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 (1 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-20170196940-A1 OXYNTOMODULIN ANALOGS AND METHODS OF MAKING AND USING SAME PTMS, OGFRL1, SHBG ESR1 3091/4885NQO2 4120/4885MEN1 2444/4885

“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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