SCHEMBL5260942

SCHEMBL5260942

c1ccc(Pc2ccccc2)cc1.c1ccc2c(-c3cccc4ccccc34)cccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
TSHR P16473 3/20 0.42
HSD17B10 Q99714 3/20 0.42
CYP2A6 P11509 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
NFKB1 P19838 1/20 0.42
MAPK1 P28482 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PTPN1 P18031 1/20 0.40
GPR84 Q9NQS5 1/20 0.40
ALPL P05186 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL29125567 1.00 ALDH1A1 (0.42) ALDH1A1TSHRHSD17B10CYP2A6TDP1
SCHEMBL28359519 0.92 CYP2A6 (0.39) ALDH1A1TSHRHSD17B10CYP2A6TDP1
SCHEMBL29124521 0.92 CYP2A6 (0.39) ALDH1A1TSHRHSD17B10CYP2A6TDP1
Phenanthrene SCHEMBL21751231 0.83 ALDH1A1 (0.63) ALDH1A1TSHRHSD17B10CYP2A6TDP1
SCHEMBL7624470 0.83 CA12 (0.51) ALDH1A1TSHRHSD17B10TDP1KDM4E
SCHEMBL25302086 0.83 ALDH1A1 (0.59) ALDH1A1TSHRHSD17B10CYP2A6TDP1
SCHEMBL27953 0.83 ALDH1A1 (0.59) ALDH1A1TSHRHSD17B10CYP2A6TDP1
SCHEMBL29350007 0.83 ALDH1A1 (0.59) ALDH1A1TSHRHSD17B10CYP2A6TDP1
Ammonia Solution, Strong SCHEMBL3156160 0.80 ALDH1A1 (0.56) ALDH1A1TSHRHSD17B10CYP2A6TDP1
SCHEMBL2638067 0.80 ALDH1A1 (0.56) ALDH1A1TSHRHSD17B10CYP2A6TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118271215-A Method for synthesizing 2-methylthio-4-trifluoromethyl benzoic acid 江苏中旗科技股份有限公司 2024-07-02 CN claimed
CN-118126021-A Synthesis method of ipratropium hydrochloride 杭州科巢生物科技有限公司 2024-06-04 CN claimed
CN-118063383-A Rhodium-catalyzed coupling method of cycloheptatriene and aromatic amine 中国科学院大连化学物理研究所 2024-05-24 CN claimed
CN-118027065-A Selenium atom-containing conjugated fused macrocyclic material, and preparation method and application thereof 复旦大学 2024-05-14 CN claimed
CN-114685408-B Preparation method of alkyl furan compound 华南理工大学 2024-04-23 CN claimed
CN-117903132-A Asymmetric total synthesis method of alkaloid MARTINELLIC ACID 中国科学技术大学 2024-04-19 CN claimed
CN-117903150-A Synthesis method of alkenyl substituted polycyclic nitrogen heterocycle 中国科学技术大学 2024-04-19 CN claimed
CN-112469690-B Method for producing arylamines 默克专利有限公司 2024-04-16 CN claimed
CN-117820065-A Gamma-aryl substituted gem-difluoro olefin compound and preparation method thereof 湖南大学 2024-04-05 CN claimed
CN-117209363-B Synthesis method of 4-hydroxy biphenyl 江苏极易新材料有限公司 2024-04-05 CN claimed
CN-114196008-A Compound and preparation method and application thereof 深圳真瑞生物科技有限公司 2022-03-18 CN claimed
CN-113336756-A Preparation of benzoyl hydrazine-naphthalimide derivative and application of benzoyl hydrazine-naphthalimide derivative in detection of malondialdehyde 河西学院 2021-09-03 CN claimed
CN-112803083-A Zinc ion battery containing zinc complex 江苏师范大学 2021-05-14 CN claimed
CN-212962670-U Drying device is used in processing of 2, 2-bis diphenylphosphine-1, 1-binaphthyl 上海优合生物科技有限公司 2021-04-13 CN claimed
CN-111039989-A Preparation method of bis (diphenylphosphino) -palladium dichloride chiral catalyst 西安凯立新材料股份有限公司 2020-04-21 CN claimed
EP-3284746-B1 PREPARATION AND USE OF KINASE INHIBITOR CHANGZHOU LONGTHERA PHARMACEUTICALS INC (CN) 2019-07-03 EP claimed
US-10308654-B2 Preparation and use of kinase inhibitor CHANGZHOU LONGTHERA PHARMACEUTICALS INC. (CN) 2019-06-04 US claimed
US-20180346467-A9 PREPARATION AND USE OF KINASE INHIBITOR CHANGZHOU LONGTHERA PHAMACEUTICALS INC (CN) 2018-12-06 US claimed
US-20180127419-A1 PREPARATION AND USE OF KINASE INHIBITOR CHANGZHOU LONGTHERA PHAMACEUTICALS INC (CN) 2018-05-10 US claimed
EP-3284746-A1 PREPARATION AND USE OF KINASE INHIBITOR Changzhou Longthera Pharmaceuticals Inc (CN) 2018-02-21 EP claimed

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-20180127419-A1 PREPARATION AND USE OF KINASE INHIBITOR MAP3K19, MAP3K20, MAP3K1 ALDH1A1 3591/4885TSHR 3050/4885HSD17B10 3163/4885
US-20180346467-A9 PREPARATION AND USE OF KINASE INHIBITOR MAP3K19, MAP3K20, MAP3K1 ALDH1A1 3591/4885TSHR 3050/4885HSD17B10 3163/4885
US-10308654-B2 Preparation and use of kinase inhibitor MAP3K19, MAP3K20, MAP3K1 ALDH1A1 3591/4885TSHR 3050/4885HSD17B10 3163/4885

“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.