SCHEMBL2396441

SCHEMBL2396441

O=C(/C=C/c1ccccc1)C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.59
ALDH1A1 P00352 4/20 0.59
HDAC3 O15379 3/20 0.59
HDAC4 P56524 3/20 0.59
HDAC1 Q13547 3/20 0.59
HDAC2 Q92769 3/20 0.59
HDAC8 Q9BY41 3/20 0.59
HDAC6 Q9UBN7 3/20 0.59
MAPT P10636 3/20 0.59
HDAC7 Q8WUI4 2/20 0.59
HDAC10 Q969S8 2/20 0.59
HDAC11 Q96DB2 2/20 0.59
HDAC9 Q9UKV0 2/20 0.59
HDAC5 Q9UQL6 2/20 0.59
PLIN1 O60240 2/20 0.59
RECQL P46063 2/20 0.59
PLIN5 Q00G26 2/20 0.59
ABHD5 Q8WTS1 2/20 0.59
TNKS O95271 1/20 0.59
HCAR2 Q8TDS4 1/20 0.59

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
SCHEMBL4412144 1.00 LMNA (0.59) LMNAALDH1A1HDAC3HDAC4HDAC1
SCHEMBL5280005 0.87 RAB9A (0.48) LMNAALDH1A1HDAC3HDAC4HDAC1
SCHEMBL1372517 0.85 HDAC3 (0.56) LMNAALDH1A1HDAC3HDAC4HDAC1
SCHEMBL1372519 0.85 HDAC3 (0.56) LMNAALDH1A1HDAC3HDAC4HDAC1
SCHEMBL4780407 0.85 HDAC3 (0.56) LMNAALDH1A1HDAC3HDAC4HDAC1
SCHEMBL4780413 0.85 HDAC3 (0.56) LMNAALDH1A1HDAC3HDAC4HDAC1
SCHEMBL27628008 0.82 HSD11B1 (0.64) LMNAALDH1A1HDAC3HDAC4HDAC1
SCHEMBL7625602 0.82 TYR (0.61) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL7625595 0.82 TYR (0.61) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL31670724 0.81 LMNA (0.52) LMNAALDH1A1HDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103896958-B Oridonin and ent-6,7-open loop dammara ene-type derivative purposes in terms of preparing antituberculotic thereof 中国药科大学 2016-08-24 CN claimed
CN-103896958-A Oridonin and use of ent-6,7-open-loop kaurene type derivative thereof in preparing antituberculosis medicaments UNIV CHINA PHARMA 2014-07-02 CN claimed
CN-102295649-A Oridonin with antitumor resistance activity, 6,7-open ring oridonin fluorine-containing derivative, preparation method and application 2011-12-28 CN claimed
US-8012975-B2 These compounds lack a 1,4-bridging group as found in the ecteinascidins; and, have at the C-1 position a substituent selected from an amino or hydroxy group, optionally protected or derivatized; anticarcinogenic agents PHARMA MAR, S.A. (ES) 2011-09-06 US claimed
US-7410969-B2 Antitumoral analogs of ET-743 PHARMA MAR, S.A. (ES) 2008-08-12 US claimed
US-20080051407-A1 These compounds lack a 1,4-bridging group as found in the ecteinascidins; and, have at the C-1 position a substituent selected from an amino or hydroxy group, optionally protected or derivatized; anticarcinogenic agents PHARMA MAR, S.A., A MADRID SPAIN CORPORATION 2008-02-28 US claimed
EP-1496060-B1 Antitumoral analogs of ET-743 PHARMA MAR SA (ES) 2007-08-01 EP claimed
US-7247629-B2 Antitumoral analogs of et-743 PHARMA MAR, S.A. 2007-07-24 US claimed
WO-2007000329-A2 EPOXIDATION OF ALPHA, BETA-UNSATURATED KETONES LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-01-04 WO claimed
US-20060019960-A1 Antitumoral analogs of ET-743 PHARMA MAR, S.A. (ES) 2006-01-26 US claimed
CN-1211386-C Antitumoral analogue of Et-743 PHARMA MAR SA (ES) 2005-07-20 CN claimed
EP-1289999-B1 ANTITUMORAL ANALOGS OF ET-743 PHARMA MAR SA (ES) 2004-11-17 EP claimed
CN-1441805-A Antitumoral analogue of Et-743 PHARMA MAR SA (ES) 2003-09-10 CN claimed
US-11945824-B2 Heterocyclic compounds as anti-viral agents ENANTA PHARMACEUTICALS, INC. (US) 2024-04-02 US disclosed
US-11420976-B2 Heterocyclic compounds as anti-viral agents ENANTA PHARMACEUTICALS, INC. (US) 2022-08-23 US disclosed
US-11420976-B2 Heterocyclic compounds as anti-viral agents ENANTA PHARMACEUTICALS, INC. (US) 2022-08-23 US disclosed
EP-1083171-A1 PYRAZOLINE DERIVATIVES, THEIR PREPARATION AND APPLICATION AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2001-03-14 EP disclosed
EP-0795547-B1 (Aminoalkyl- and acylaminoalkyl-oxy)benzyloxyquinolines, process for their preparation and use as Bradykinin receptor antagonists HOECHST AG (DE) 2000-05-10 EP disclosed
EP-0795547-A1 (Aminoalkyl- and acylaminoalkyl-oxy)benzyloxyquinolines, process for their preparation and use as Bradykinin receptor antagonists HOECHST AKTIENGESELLSCHAFT (DE) 1997-09-17 EP disclosed
US-4401827-A CARDIOTONIC AND ANTILIPEMIC AGENTS; BLOOD DISORDERS SIGMA-TAU (IT) 1983-08-30 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 (4 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-20080051407-A1 These compounds lack a 1,4-bridging group as found in the ecteinascidins; and, have at the C-1 position a substituent selected from an amino or hydroxy group, optionally protected or derivatized; anticarcinogenic agents FN1, RCN1, ERCC4 LMNA 126/4885ALDH1A1 924/4885HDAC3 2693/4885
US-20060019960-A1 Antitumoral analogs of ET-743 ETV1, ETV6, ETF1 LMNA 310/4885ALDH1A1 2332/4885HDAC3 2570/4885
US-11945824-B2 Heterocyclic compounds as anti-viral agents VIP, ACE, FURIN LMNA 2322/4885ALDH1A1 1686/4885HDAC3 246/4885
US-11420976-B2 Heterocyclic compounds as anti-viral agents VIP, ACE, FURIN LMNA 2322/4885ALDH1A1 1686/4885HDAC3 246/4885

“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.