SCHEMBL16836611

SCHEMBL16836611

O=C(O)c1ccccc1OCC(F)F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.59
KMT2A Q03164 2/20 0.59
PTK2B Q14289 1/20 0.59
KDM4E B2RXH2 8/20 0.57
HTT P42858 3/20 0.57
HSD17B10 Q99714 6/20 0.50
HPGD P15428 5/20 0.50
AGER Q15109 1/20 0.49
ESR1 P03372 1/20 0.49
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
HMGB1 P09429 1/20 0.49
TSHR P16473 1/20 0.49
GGT1 P19440 1/20 0.49
PTGS1 P23219 1/20 0.49
PTGS2 P35354 1/20 0.49
BLM P54132 1/20 0.49
NAPRT Q6XQN6 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MEN1 O00255 1/20 0.47

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
SCHEMBL18700957 0.86 ALDH1A1 (0.56) ALDH1A1KMT2APTK2BKDM4EHTT
SCHEMBL17859341 0.84 LMNA (0.60) ALDH1A1KMT2AKDM4EHTTTSHR
SCHEMBL28229749 0.84 HTT (0.58) KMT2AKDM4EHTTMEN1MAPT
SCHEMBL2716493 0.83 PTGER1 (0.48) ALDH1A1KMT2APTK2BKDM4EHTT
SCHEMBL18700970 0.82 ALDH1A1 (0.59) ALDH1A1KMT2APTK2BKDM4EHTT
SCHEMBL477006 0.82 ALDH1A1 (0.59) ALDH1A1KMT2APTK2BKDM4EHTT
SCHEMBL19604252 0.81 ABCB1 (0.60) ALDH1A1KMT2AKDM4EHSD17B10TSHR
SCHEMBL19564484 0.81 ABCB1 (0.46) ALDH1A1KDM4EHTTTSHRHCRTR1
SCHEMBL16836610 0.81 SLC6A3 (0.51) ALDH1A1KMT2AHTTHPGDTSHR
SCHEMBL20522192 0.81 PKM (0.46) ALDH1A1KMT2APTK2BKDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12630541-B2 Compounds useful as inhibitors of ALCAT 1 PERENNA PHARMACEUTICALS, INC. (US) 2026-05-19 US disclosed
CN-120136858-A Compounds useful as ALCAT1 inhibitors 中美博瑞纳制药有限公司 2025-06-13 CN disclosed
CN-110709394-B Compounds useful as ALCAT1 inhibitors 中美博瑞纳制药有限公司 2025-02-21 CN disclosed
US-20220089582-A1 COMPOUNDS USEFUL AS INHIBITORS OF ALCAT 1 PERENNA PHARMACEUTICALS, INC. 2022-03-24 US disclosed
US-11208404-B2 Compounds useful as inhibitors of ALCAT 1 PERENNA PHARMACEUTICALS, INC. (US) 2021-12-28 US disclosed
US-20200109136-A1 COMPOUNDS USEFUL AS INHIBITORS OF ALCAT 1 PERENNA PHARMACEUTICALS, INC. 2020-04-09 US disclosed
EP-3601274-A1 COMPOUNDS USEFUL AS INHIBITORS OF ALCAT 1 Perenna Pharmaceuticals, Inc. (US) 2020-02-05 EP disclosed
CN-110709394-A Compounds useful as ALCAT1 inhibitors 中美博瑞纳制药有限公司 2020-01-17 CN disclosed
WO-2018178304-A1 COMPOUNDS USEFUL AS INHIBITORS OF ALCAT 1 PERENNA PHARMACEUTICALS, INC. (US) 2018-10-04 WO disclosed
US-10017504-B2 Piperidine isoxazole and isothiazole orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2018-07-10 US disclosed
WO-2016085783-A1 BRIDGED DIAZEPANE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-06-02 WO disclosed
WO-2016085783-A1 BRIDGED DIAZEPANE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-06-02 WO disclosed
WO-2016069512-A1 PYRAZOLE, TRIAZOLE AND TETRAZOLE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-05-06 WO disclosed
WO-2016065585-A1 PIPERIDINE ISOXAZOLE AND ISOTHIAZOLE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-05-06 WO disclosed
WO-2016069517-A1 PIPERIDINE ISOXAZOLE AND ISOTHIAZOLE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-05-06 WO disclosed
WO-2016065586-A1 PYRAZOLE, TRIAZOLE AND TETRAZOLE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-05-06 WO disclosed
CN-103857657-B Hete rocyclic derivatives and medicine NIPPON SHINYAKU CO.,LTD. (JP) 2016-04-20 CN disclosed
WO-2015095111-A1 DIAZEPANE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2015-06-25 WO disclosed
WO-2015095111-A1 DIAZEPANE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2015-06-25 WO disclosed
CN-103857657-A Heterocyclic derivative and pharmaceutical drug NIPPON SHINYAKU CO LTD 2014-06-11 CN 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 (5 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-20220089582-A1 COMPOUNDS USEFUL AS INHIBITORS OF ALCAT 1 ACAT1, ACAT2, SLC33A1 ALDH1A1 65/4885KMT2A 866/4885PTK2B 3897/4885
US-10017504-B2 Piperidine isoxazole and isothiazole orexin receptor antagonists HCRTR1, HCRTR2, OXTR ALDH1A1 932/4885KMT2A 1658/4885PTK2B 2789/4885
US-12630541-B2 Compounds useful as inhibitors of ALCAT 1 LCLAT1, LPCAT1, ACAT2 ALDH1A1 511/4885KMT2A 1295/4885PTK2B 3628/4885
US-11208404-B2 Compounds useful as inhibitors of ALCAT 1 ACAT1, ACAT2, SLC33A1 ALDH1A1 65/4885KMT2A 866/4885PTK2B 3897/4885
US-20200109136-A1 COMPOUNDS USEFUL AS INHIBITORS OF ALCAT 1 ACAT1, ACAT2, SLC33A1 ALDH1A1 65/4885KMT2A 866/4885PTK2B 3897/4885

“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.