SCHEMBL4112541

SCHEMBL4112541

Fc1cccc2cccc(F)c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
HSD17B10 Q99714 4/20 0.53
TSHR P16473 4/20 0.53
HPGD P15428 3/20 0.53
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP1A1 P04798 1/20 0.53
CYP1B1 Q16678 1/20 0.53
MAPK1 P28482 2/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
THRB P10828 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39
BCHE P06276 1/20 0.39
MCL1 Q07820 1/20 0.39

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
SCHEMBL29788341 1.00 ALDH1A1 (0.53) ALDH1A1HSD17B10TSHRHPGDCYP1A2
SCHEMBL24672067 0.81 ALDH1A1 (0.41) ALDH1A1HSD17B10TSHRHPGDCYP1A2
SCHEMBL29937128 0.81 CYP1A2 (0.41) ALDH1A1HSD17B10TSHRHPGDCYP1A2
SCHEMBL29428517 0.81 ALDH1A1 (0.50) ALDH1A1HSD17B10TSHRHPGDCYP1A2
SCHEMBL20356021 0.81 CYP1A2 (0.42) ALDH1A1HSD17B10TSHRHPGDCYP1A2
SCHEMBL18380189 0.81 ALDH1A1 (0.41) ALDH1A1HSD17B10TSHRHPGDCYP1A2
SCHEMBL14596479 0.81 ACHE (0.52) ALDH1A1HSD17B10TSHRHPGDCYP1A2
SCHEMBL4959166 0.81 ALDH1A1 (0.50) ALDH1A1HSD17B10TSHRHPGDCYP1A2
SCHEMBL4078324 0.81 JAK2 (0.45) ALDH1A1HSD17B10TSHRHPGDCYP1A2
SCHEMBL30706725 0.81 JAK2 (0.45) ALDH1A1HSD17B10TSHRHPGDCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114773220-B Rigid double-tail surfactant, preparation method thereof and clean fracturing fluid 西安阿伯塔资环分析测试技术有限公司 2024-01-26 CN claimed
CN-114773220-A Rigid double-tail surfactant, preparation method thereof and clean fracturing fluid 西安阿伯塔资环分析测试技术有限公司 2022-07-22 CN claimed
CN-114773220-B Rigid double-tail surfactant, preparation method thereof and clean fracturing fluid 西安阿伯塔资环分析测试技术有限公司 2024-01-26 CN disclosed
CN-115991815-A Halogenated modified prepared photoresist resin material and preparation method thereof 中国科学院长春应用化学研究所 2023-04-21 CN disclosed
CN-114773220-A Rigid double-tail surfactant, preparation method thereof and clean fracturing fluid 西安阿伯塔资环分析测试技术有限公司 2022-07-22 CN disclosed
EP-3564245-A1 NAPHTHOBISCHALCOGENADIAZOLE DERIVATIVE AND PRODUCTION METHOD THEREFOR Osaka University (JP) 2019-11-06 EP disclosed
WO-2018123207-A1 NAPHTHOBISCHALCOGENADIAZOLE DERIVATIVE AND PRODUCTION METHOD THEREFOR 国立大学法人大阪大学 2018-07-05 WO disclosed
US-20090221645-A1 Dihydroimidazothiazole Derivatives PROSIDION LIMITED (GB) 2009-09-03 US disclosed
EP-1851232-A2 DIHYDROIMIDAZOTHIAZOLE DERIVATIVES Prosidion Limited (GB) 2007-11-07 EP disclosed
WO-2006085118-A2 DIHYDROIMIDAZOTHIAZOLE DERIVATIVES PROSIDION LIMITED (GB) 2006-08-17 WO disclosed
US-6887533-B2 Fluorinated oxaanthracenes and their use in liquid-crystal mixtures CLARIANT INTERNATIONAL, LTD. (CH) 2005-05-03 US disclosed
US-20040245498-A1 Fluorinated oxaanthracenes and their use in liquid-crystal mixtures AZ ELECTRONIC MATERIALS (GERMANY) GMBH (DE) 2004-12-09 US disclosed
US-6759103-B2 NEMATIC, CHOLESTERIC OR CHIRAL SMECTIC LIQUID-CRYSTAL MIXTURES HAVING HIGH ABSOLUTE DIELECTRIC ANISOTROPY VALUES AND WITH A FAVORABLE VISCOSITY/CLEARING POINT RELATIONSHIP; PHOTOSTABILITY; HEAT AND ULTRAVIOLET RADIATION RESISTANCE CLARIANT FINANCI (BVI) LIMITED (VG) 2004-07-06 US disclosed
US-20030091756-A1 Nematic, cholesteric or chiral smectic liquid-crystal mixtures having high absolute dielectric anisotropy values and with a favorable viscosity/clearing point relationship; photostability; heat and ultraviolet radiation resistance CLARIANT INTERNATIONAL LTD. 2003-05-15 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 (3 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-20090221645-A1 Dihydroimidazothiazole Derivatives TPH1, HTR3B, HTR1A ALDH1A1 195/4885HSD17B10 481/4885TSHR 460/4885
US-20040245498-A1 Fluorinated oxaanthracenes and their use in liquid-crystal mixtures FRG1, CXCR1, CCR1 ALDH1A1 821/4885HSD17B10 417/4885TSHR 835/4885
US-20030091756-A1 Nematic, cholesteric or chiral smectic liquid-crystal mixtures having high absolute dielectric anisotropy values and with a favorable viscosity/clearing point relationship; photostability; heat and ultraviolet radiation resistance SCO2, CNOT1, HCFC1 ALDH1A1 1699/4885HSD17B10 805/4885TSHR 4788/4885

“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.