SCHEMBL4157894

SCHEMBL4157894

O=C1c2ccccc2CCc2ccc(F)cc21

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
CES1 P23141 1/20 0.61
MAPK14 Q16539 13/20 0.57
MAOA P21397 1/20 0.50
PARP1 P09874 1/20 0.50
PARP10 Q53GL7 1/20 0.50
SRD5A1 P18405 1/20 0.47
AKR1B1 P15121 1/20 0.45
MAOB P27338 1/20 0.45
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43

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
SCHEMBL5518824 0.90 PARP1 (0.58) TDP1L3MBTL1CES1MAPK14PARP1
SCHEMBL6954820 0.89 MAPK14 (0.65) TDP1L3MBTL1CES1MAPK14MAOA
SCHEMBL8251126 0.87 MAPK14 (0.55) TDP1L3MBTL1MAPK14PARP1PARP10
SCHEMBL11140087 0.86 MAOA (0.57) TDP1L3MBTL1CES1MAPK14MAOA
SCHEMBL18533302 0.84 TDP1 (0.46) TDP1L3MBTL1CES1MAPK14MAOA
SCHEMBL44496 0.82 CES1 (0.90) TDP1L3MBTL1CES1MAPK14MAOA
SCHEMBL29408351 0.82 CES1 (0.90) TDP1L3MBTL1CES1MAPK14MAOA
SCHEMBL29437756 0.82 CES1 (0.90) TDP1L3MBTL1CES1MAPK14MAOA
SCHEMBL6387885 0.79 MAPK14 (0.60) TDP1L3MBTL1MAPK14PARP1PARP10
SCHEMBL3372953 0.78 SRD5A1 (0.54) MAPK14PARP1PARP10SRD5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10476006-B2 Compound and organic electronic device using the same SHANGHAI NICHEM FINE CHEMICAL CO., LTD. (CN) 2019-11-12 US disclosed
EP-3281936-B1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME SHANGHAI NICHEM FINE CHEMICAL CO LTD (CN) 2019-10-09 EP disclosed
US-20180047908-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME NICHEM FINE TECHNOLOGY CO., LTD. (TW) 2018-02-15 US disclosed
US-20180047908-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME NICHEM FINE TECHNOLOGY CO., LTD. (TW) 2018-02-15 US disclosed
EP-3281936-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME Nichem Fine Technology Co., Ltd. (TW) 2018-02-14 EP disclosed
US-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS COGHLAN MICHAEL JOSEPH 2009-06-11 US disclosed
US-7411072-B2 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2008-08-12 US disclosed
US-7268166-B2 Compounds active at a novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases NPS PHARMACEUTICALS, INC. (US) 2007-09-11 US disclosed
US-7268166-B2 Compounds active at a novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases NPS PHARMACEUTICALS, INC. (US) 2007-09-11 US disclosed
US-7268166-B2 Compounds active at a novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases NPS PHARMACEUTICALS, INC. (US) 2007-09-11 US disclosed
US-20060142594-A1 Compounds active at a novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases MUELLER ALAN L 2006-06-29 US disclosed
US-20060063759-A1 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY 2006-03-23 US disclosed
US-20040171670-A1 Compounds active at a novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases NPS PHARMACEUTICALS, INC. 2004-09-02 US disclosed
US-6750244-B2 NERVOUS SYSTEM DISORDERS NPS PHARMACEUTICALS, INC. 2004-06-15 US disclosed
US-20020004522-A1 Nervous system disorders NPS PHARMACEUTICALS, INC. 2002-01-10 US disclosed
US-6211245-B1 DRUGS FOR CONTROLLING CALCIUM MODULATORS NPS PHARMACEUTICALS, INC. 2001-04-03 US disclosed
WO-1998056752-A1 COMPOUNDS ACTIVE AT A NOVEL SITE ON RECEPTOR-OPERATED CALCIUM CHANNELS USEFUL FOR TREATMENT OF NEUROLOGICAL DISORDERS AND DISEASES NPS PHARMACEUTICALS, INC. (US) 1998-12-17 WO disclosed
US-4929621-A ANTIDEPRESSANTS, ANXIOLYTIC AGENTS SYNTHELABO (FR) 1990-05-29 US disclosed
US-4891376-A MIGRAINE SYNTHELABO (FR) 1990-01-02 US disclosed
EP-0115690-A1 Dibenzocycloheptenylidenes AMERICAN HOME PRODUCTS CORPORATION (US) 1984-08-15 EP 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 (7 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-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS NR5A1, NR3C2, NR3C1 TDP1 3931/4885L3MBTL1 4870/4885CES1 439/4885
US-10476006-B2 Compound and organic electronic device using the same ESR1, AOC2, PIEZO1 TDP1 2975/4885L3MBTL1 1194/4885CES1 940/4885
US-20060142594-A1 Compounds active at a novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases NCS1, ATP2A1, CACNA1D TDP1 682/4885L3MBTL1 656/4885CES1 2100/4885
US-20180047908-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME ESR1, AOC2, PIEZO1 TDP1 2975/4885L3MBTL1 1194/4885CES1 940/4885
US-20040171670-A1 Compounds active at a novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases NCS1, ATP2A1, CACNA1D TDP1 682/4885L3MBTL1 656/4885CES1 2100/4885
US-20020004522-A1 Nervous system disorders HIF1A, PYGB, LDHB TDP1 134/4885L3MBTL1 243/4885CES1 1111/4885
US-20060063759-A1 Tricyclic steroid hormone nuclear receptor modulators NR5A1, NR3C2, NR3C1 TDP1 4121/4885L3MBTL1 4872/4885CES1 435/4885

“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.