SCHEMBL143458

SCHEMBL143458

O=CCCc1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.49
NQO2 P16083 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP2C9 P11712 1/20 0.48
ACP3 P15309 1/20 0.47
CYP2D6 P10635 1/20 0.46
DAO P14920 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HPGD P15428 2/20 0.44
CA2 P00918 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 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
SCHEMBL7176244 0.89 HPRT1 (0.48) MTNR1ANQO2TDP1CYP1A2CYP2C19
SCHEMBL143128 0.89 MTNR1A (0.47) MTNR1ANQO2TDP1CYP1A2CYP2C19
SCHEMBL3225216 0.87 MTNR1A (0.45) MTNR1ANQO2TDP1CYP1A2CYP2C19
SCHEMBL3244852 0.85 MTNR1A (0.44) MTNR1ANQO2TDP1CYP1A2CYP2C19
SCHEMBL6710762 0.83 ALDH1A1 (0.40) MTNR1ANQO2CYP1A2CYP2C9DAO
SCHEMBL6711225 0.83 MTNR1A (0.43) MTNR1ANQO2TDP1CYP1A2CYP2C19
SCHEMBL4528236 0.81 MTNR1A (0.42) MTNR1ANQO2TDP1CYP1A2CYP2C19
SCHEMBL28607303 0.80 ADH1B (0.36) TDP1CYP2D6MEN1ALDH1A1KMT2A
SCHEMBL3047898 0.80 CYP1A2 (0.62) MTNR1ANQO2TDP1CYP1A2CYP2C19
SCHEMBL7700283 0.80 CYP1A2 (0.50) MTNR1ANQO2TDP1CYP1A2CYP2C19

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 1376 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115515617-A Diamine-linked receptor-specific cyclic peptides 帕拉丁科技公司 2022-12-23 CN claimed
EP-4100040-A1 DIAMINE-LINKED RECEPTOR-SPECIFIC CYCLIC PEPTIDES Palatin Technologies, Inc. (US) 2022-12-14 EP claimed
WO-2021158463-A1 DIAMINE-LINKED RECEPTOR-SPECIFIC CYCLIC PEPTIDES PALATIN TECHNOLOGIES, INC. (US) 2021-08-12 WO claimed
EP-3836971-A1 CONJUGATES AND METHODS OF USING THE SAME Flagship Pioneering Innovations V, Inc. (US) 2021-06-23 EP claimed
US-20210162057-A1 CONJUGATES AND METHODS OF USING THE SAME FLAGSHIP PIONEERING INNOVATIONS V, INC. 2021-06-03 US claimed
WO-2020037009-A1 CONJUGATES AND METHODS OF USING THE SAME FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2020-02-20 WO claimed
CN-109042721-A Herbicidal combinations and its application 四川利尔作物科学有限公司 2018-12-21 CN claimed
CN-108935507-A Agricultural active ingredients and its application 四川利尔作物科学有限公司 2018-12-07 CN claimed
CN-107950527-A A kind of safener for the anti-acetamide-group herbicides poisoning of cereal, combination agent 湖南省农业生物技术研究中心 2018-04-24 CN claimed
CN-107616179-A One kind prevents and kill off broad leaved weed highy potent herbicide 无为县喜乐农场 2018-01-23 CN claimed
EP-0966456-A1 TAXOID REVERSAL AGENTS FOR DRUG-RESISTANCE IN CANCER CHEMOTHERAPY AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1999-12-29 EP claimed
US-5811452-A ADMINISTERING WITH PACLITAXEL OR DOXORUBICIN THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1998-09-22 US claimed
EP-0668874-B1 LHRH ANTAGONISTS AND INTERMEDIATE PRODUCTS SCHERING AG (DE) 1998-08-26 EP claimed
WO-1998030553-A1 TAXOID REVERSAL AGENTS FOR DRUG-RESISTANCE IN CANCER CHEMOTHERAPY AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1998-07-16 WO claimed
US-5527777-A TREATMENT OF PROSTATE CANCER, ANTIFERTILITY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 1996-06-18 US claimed
EP-0480918-A1 REDUCED SIZE LHRH ANALOGS ABBOTT LABORATORIES (US) 1992-04-22 EP claimed
EP-0480918-A4 REDUCED SIZE LHRH ANALOGS. ABBOTT LAB (US) 1991-06-04 EP claimed
EP-0417454-A2 Reduced size LHRH analogs ABBOTT LABORATORIES (US) 1991-03-20 EP claimed
WO-1989007451-A1 REDUCED SIZE LHRH ANALOGS ABBOTT LABORATORIES (US) 1989-08-24 WO claimed
EP-0328089-A2 Reduced size LHRH analogs ABBOTT LABORATORIES (US) 1989-08-16 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 (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-20210162057-A1 CONJUGATES AND METHODS OF USING THE SAME CD47, CD44, CD74 MTNR1A 2162/4885NQO2 217/4885TDP1 1718/4885

“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.