Sugi Predict

Sugi Predict / Compounds / SCHEMBL1920593

SCHEMBL1920593

SCHEMBL1920593

CCCCC(Br)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ SIGMAR1 Q99720 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ HTR2A P28223 5/20 0.40
▸ OPRM1 P35372 1/20 0.40
▸ OPRD1 P41143 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ OPRL1 P41146 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HRH1 P35367 4/20 0.39
▸ AOC3 Q16853 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ CYP19A1 P11511 3/20 0.38
▸ NAAA Q02083 1/20 0.38

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
SCHEMBL7284245 0.98 POLB (0.44) POLBALDH1A1KDM4ESIGMAR1LMNA
SCHEMBL4459353 0.94 SIGMAR1 (0.44) POLBALDH1A1KDM4ESIGMAR1LMNA
SCHEMBL14636124 0.92 HTR2A (0.45) ALDH1A1SIGMAR1HTR2AOPRM1OPRD1
SCHEMBL22734895 0.92 HTR2A (0.45) ALDH1A1SIGMAR1HTR2AOPRM1OPRD1
SCHEMBL11806604 0.92 HTR2A (0.45) ALDH1A1SIGMAR1HTR2AOPRM1OPRD1
SCHEMBL6681848 0.92 HTR2A (0.45) ALDH1A1SIGMAR1HTR2AOPRM1OPRD1
SCHEMBL8728015 0.92 HTR2A (0.45) ALDH1A1SIGMAR1HTR2AOPRM1OPRD1
SCHEMBL6685358 0.92 HTR2A (0.45) ALDH1A1SIGMAR1HTR2AOPRM1OPRD1
SCHEMBL7573099 0.92 HTR2A (0.45) ALDH1A1SIGMAR1HTR2AOPRM1OPRD1
SCHEMBL2404354 0.92 HTR2A (0.45) ALDH1A1SIGMAR1HTR2AOPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106398080-B A kind of ammonium cross-linking type block copolymer/graphene composite material and preparation method thereof 北京化工大学 2018-12-04 — — CN claimed
CN-108299435-A 13- ethanol amine matrine derivatives prepare and its application 广西大学 2018-07-20 — — CN claimed
CN-117865930-A 25, 27-di (4-tert-butylbenzyloxy) -calix [4] arene-benzocrown-6 and preparation method and application thereof 兰州大学 2024-04-12 — — CN disclosed
CN-116946989-A Preparation method of phosphane/deuterated phosphane and derivatives thereof 北京大学 2023-10-27 — — CN disclosed
US-11492340-B2 Heteroaromatic electrophiles and methods of using thereof OHIO STATE INNOVATION FOUNDATION (US) 2022-11-08 — — US disclosed
US-20220204472-A1 HETEROAROMATIC ELECTROPHILES AND METHODS OF USING THEREOF OHIO STATE INNOVATION FOUNDATION 2022-06-30 — — US disclosed
CN-112341359-B Fluorenoxime ester compound, preparation method and application thereof 常州强力电子新材料股份有限公司 2022-05-06 — — CN disclosed
US-11091484-B2 Tricyclic heterocycles as BET protein inhibitors INCYTE CORPORATION (US) 2021-08-17 — — US disclosed
US-11091484-B2 Tricyclic heterocycles as BET protein inhibitors INCYTE CORPORATION (US) 2021-08-17 — — US disclosed
WO-2021023144-A1 FLUORENOXIME ESTER COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 常州强力电子新材料股份有限公司 2021-02-11 — — WO disclosed
CN-112341359-A Fluorenoxime ester compound, preparation method and application thereof 常州强力电子新材料股份有限公司 2021-02-09 — — CN disclosed
EP-0355544-A2 Substituted decalin amines, method for their preparation and their use in pesticides BAYER AG (DE) 1990-02-28 — — EP disclosed
EP-0294183-A1 Use of ethylamine derivatives as antihypertensive agents AJINOMOTO CO., INC. (JP) 1988-12-07 — — EP disclosed
EP-0044940-B1 AMINO-DESOXY-1.4;3.6-DIANHYDRO-HEXITE NITRATES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS Dr. Willmar Schwabe GmbH & Co. (DE) 1984-09-19 — — EP disclosed
US-4363805-A TREATMENT OF CORONARY DISEASE FIRMA WILLMAR SCHWABE (DE) 1982-12-14 — — US disclosed
EP-0044940-A1 Amino-desoxy-1.4;3.6-dianhydro-hexite nitrates, processes for their preparation and pharmaceutical compositions Dr. Willmar Schwabe GmbH & Co. (DE) 1982-02-03 — — EP disclosed
US-4277421-A P-TERT-BUTYLBENZAL BROMIDE HOECHST AKTIENGESELLSCHAFT (DE) 1981-07-07 — — US disclosed
US-4261925-A Surfactants THE DOW CHEMICAL COMPANY (US) 1981-04-14 — — US disclosed
US-4153606-A Process for the production of thiazoline-(3) compounds DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) 1979-05-08 — — US disclosed
US-4001229-A ALKANESULFONAMIDO TRIPHENYLETHYLENES MEAD JOHNSON & COMPANY (US) 1977-01-04 — — 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-11492340-B2 Heteroaromatic electrophiles and methods of using thereof ACHE, BCHE, CHAT POLB 912/4885ALDH1A1 1025/4885KDM4E 3120/4885
US-20220204472-A1 HETEROAROMATIC ELECTROPHILES AND METHODS OF USING THEREOF ACHE, BCHE, CHAT POLB 912/4885ALDH1A1 1025/4885KDM4E 3120/4885
US-11091484-B2 Tricyclic heterocycles as BET protein inhibitors BRD1, BRD3, BRD2 POLB 1058/4885ALDH1A1 4703/4885KDM4E 1807/4885

“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.