SCHEMBL29639019

SCHEMBL29639019

OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.58
TDO2 P48775 1/20 0.46
HRH3 Q9Y5N1 2/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
GPR3 P46089 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
TSHR P16473 2/20 0.40
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 1/20 0.38
FABP7 O15540 1/20 0.38
FABP5 Q01469 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
SCHEMBL261028 1.00 HTR2A (0.58) HTR2ATDO2HRH3CA1CA2
SCHEMBL18385998 0.91 HTR2A (0.50) HTR2ATDO2HRH3CA1CA2
Acetic Acid SCHEMBL28553657 0.87 POLB (0.48) HTR2AHRH3CA1CA2HDAC3
SCHEMBL3062707 0.87 HTR2A (0.47) HTR2ATDO2HRH3CA1CA2
SCHEMBL11526876 0.86 HTR2A (0.40) HTR2ATDO2HRH3TSHRKMT2A
SCHEMBL9449414 0.82 HRH3 (0.46) HTR2ATDO2HRH3CA1CA2
SCHEMBL12704857 0.82 PPIA (0.44) HTR2ATDO2HRH3POLBKMT2A
SCHEMBL1230997 0.82 HTR2A (0.47) HTR2ATDO2HRH3CA1CA2
SCHEMBL28540993 0.82 HRH3 (0.46) HTR2ATDO2HRH3GPR3CYP1A2
Glutarate SCHEMBL3623154 0.82 KMT2A (0.52) HTR2AHDAC3HDAC4HDAC7HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115561372-B Method for detecting related substances in N-fluorenylmethoxycarbonyl-L-phenylalanine 重庆莱美隆宇药业有限公司 2025-04-15 CN claimed
CN-116129646-B Traffic prediction method of graph convolution neural network based on feature intersection 中国科学技术大学 2024-05-10 CN claimed
CN-112464546-B Public space pedestrian flow movement risk judging method based on dynamic data analysis 上海交通大学设计研究总院有限公司 2024-03-19 CN claimed
CN-116693629-B Purification method of telipopeptide 杭州湃肽生化科技有限公司 2023-10-31 CN claimed
CN-116693629-A Purification method of telipopeptide 杭州湃肽生化科技有限公司 2023-09-05 CN claimed
CN-111944040-B Solid phase synthesis method of abamectin 海南中和药业股份有限公司 2023-07-18 CN claimed
CN-111944038-B Synthetic method of somalupeptide 深圳市健元医药科技有限公司 2023-06-13 CN claimed
CN-116129646-A Traffic prediction method of graph convolution neural network based on feature intersection 中国科学技术大学 2023-05-16 CN claimed
CN-115974974-A Polypeptide compound with anti-inflammatory activity and preparation method and application thereof 上海大学 2023-04-18 CN claimed
US-20230040959-A1 EXPRESSION OF ELECTRICALLY CONDUCTIVE PROTEIN NANOWIRES IN ESCHERICHIA COLI NATIONAL SCIENCE FOUNDATION 2023-02-09 US claimed
CN-115561372-A Method for detecting related substances in N-fluorenylmethoxycarbonyl-L-phenylalanine 重庆莱美隆宇药业有限公司 2023-01-03 CN claimed
CN-111995513-B Preparation method of 9-hydroxymethyl-fluorenic acid 天津键凯科技有限公司 2022-11-01 CN claimed
US-20250216379-A1 SYSTEMS AND METHODS FOR TESTING AND SCREENING USING COMPOUND BOUND SUBSTRATES CERUS CORP (US) 2025-07-03 US disclosed
US-12320802-B2 Microbial nanowires modified to contain peptides and methods of making UNIVERSITY OF MASSACHUSETTS (US) 2025-06-03 US disclosed
US-12282015-B2 Systems and methods for testing and screening using compound bound substrates CERUS CORPORATION (US) 2025-04-22 US disclosed
CN-115561372-B Method for detecting related substances in N-fluorenylmethoxycarbonyl-L-phenylalanine 重庆莱美隆宇药业有限公司 2025-04-15 CN disclosed
CN-115192730-A Bispecific polypeptide nano-drug targeting PD-L1 and preparation method and application thereof 郑州大学 2022-10-18 CN disclosed
CN-114897168-A Fusion training method and system of wind control model based on knowledge representation learning 支付宝(杭州)信息技术有限公司 2022-08-12 CN disclosed
US-11400106-B2 Methods for inhibiting microbe growth MCMASTER UNIVERSITY (CA) 2022-08-02 US disclosed
US-11353466-B2 Methods and compositions for quantifying hemoglobin CELLICS THERAPEUTICS, INC. (US) 2022-06-07 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 (1 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-11400106-B2 Methods for inhibiting microbe growth MMP8, BPGM, CAPG HTR2A 4638/4885TDO2 1899/4885HRH3 1285/4885

“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.