SCHEMBL3404282

SCHEMBL3404282

COc1ccc(C(=O)O)c(I)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.54
AKR1C3 P42330 11/20 0.54
AKR1C2 P52895 11/20 0.54
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
KDM4E B2RXH2 3/20 0.50
POLB P06746 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
CYP3A4 P08684 1/20 0.50
MAPK1 P28482 1/20 0.50
MAPT P10636 1/20 0.49
LMNA P02545 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48

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
SCHEMBL154696 0.85 ALDH1A1 (0.65) AKR1C3AKR1C2NPC1RAB9AKDM4E
SCHEMBL1586234 0.85 SMN1; SMN2 (0.59) SMN1; SMN2AKR1C3AKR1C2KDM4EPOLB
SCHEMBL31494905 0.85 SMN1; SMN2 (0.59) SMN1; SMN2AKR1C3AKR1C2KDM4EPOLB
SCHEMBL6931977 0.83 NPC1 (0.50) SMN1; SMN2AKR1C3AKR1C2NPC1RAB9A
SCHEMBL4216899 0.83 KDM4E (0.56) SMN1; SMN2AKR1C3AKR1C2NPC1RAB9A
SCHEMBL383820 0.82 ALDH1A1 (0.66) SMN1; SMN2AKR1C3AKR1C2NPC1RAB9A
SCHEMBL22129880 0.81 KDM4E (0.67) KDM4EALDH1A1HPGDCYP3A4MAPK1
SCHEMBL157100 0.81 HTT (0.69) SMN1; SMN2NPC1RAB9AKDM4EPOLB
SCHEMBL10013752 0.80 NPC1 (0.47) SMN1; SMN2NPC1RAB9APOLBALDH1A1
Benzene SCHEMBL29227606 0.80 ALDH1A1 (0.63) SMN1; SMN2AKR1C3AKR1C2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4635949-A1 SUBSTITUTED TETRAHYDROCYCLOPENTYL[C]PYRROLE DERIVATIVE, PREPARATION METHOD, INTERMEDIATE AND USE THEREOF Jiangsu NHWA Pharmaceutical Co., Ltd (CN) 2025-10-22 EP disclosed
CN-120081802-A Heterocyclic substituted benzamide derivative and application thereof 南华大学附属第一医院 2025-06-03 CN disclosed
WO-2024125395-A1 SUBSTITUTED TETRAHYDROCYCLOPENTYL[C]PYRROLE DERIVATIVE, PREPARATION METHOD, INTERMEDIATE AND USE THEREOF 江苏恩华药业股份有限公司 2024-06-20 WO disclosed
CN-113321604-B Preparation method of beta-carotene 万华化学集团股份有限公司(CN) 2023-01-13 CN disclosed
CN-111138445-B Method for preparing 5, 12-dioxaanthracene-6, 11-diketone compound by nickel catalysis 浙江农林大学暨阳学院 2022-07-22 CN disclosed
CN-113321604-A Preparation method of beta-carotene with high all-trans content 万华化学集团股份有限公司 2021-08-31 CN disclosed
WO-2020130081-A1 METHOD FOR PRODUCING 2-IODOSOBENZOIC ACIDS 学校法人立命館 2020-06-25 WO disclosed
US-10662173-B2 Indole and pyrrole compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2020-05-26 US disclosed
CN-111138445-A Method for preparing 5, 12-dioxaanthracene-6, 11-diketone compound by nickel catalysis 浙江农林大学暨阳学院 2020-05-12 CN disclosed
CN-110092788-A Substituted [1,2,4] triazol [1,5-a] pyrimidin-7-yl compound as PDE2 inhibitor 达特神经科学(开曼)有限公司 2019-08-06 CN disclosed
US-4105664-A Dibenz[b,f]oxepin derivatives HOFFMANN-LA ROCHE INC. (US) 1978-08-08 US disclosed
US-4100173-A DEPRESSANTS, SCHIZOPHRENIA, TRANQUILIZERS HOFFMANN-LA ROCHE INC. (US) 1978-07-11 US disclosed
US-4091023-A ANTISCHIZOPHRENIA AGENTS, TRANQUILIZERS HOFFMANN-LA ROCHE INC. (US) 1978-05-23 US disclosed
US-4044010-A NEUROLEPTIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1977-08-23 US disclosed
US-4032525-A CNS DEPRESSANTS, NEUROLEPTICS HOFFMANN-LA ROCHE INC. (US) 1977-06-28 US disclosed
US-4011222-A NEUROLEPTIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1977-03-08 US disclosed
US-3996229-A DEPRESSANTS, NEUROLEPTICS HOFFMANN-LA ROCHE INC. (US) 1976-12-07 US disclosed
US-3966737-A NEUROLEPTIC HOFFMANN-LA ROCHE INC. (US) 1976-06-29 US disclosed
US-3954764-A NEUROLEPTIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1976-05-04 US disclosed
US-3954769-A NEUROLEPTIC AGENTS HOFFMAN-LA ROCHE INC. (US) 1976-05-04 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 (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-10662173-B2 Indole and pyrrole compounds, a process for their preparation and pharmaceutical compositions containing them RB1, IDO1, BCL2A1 SMN1; SMN2 3448/4885AKR1C3 132/4885AKR1C2 259/4885

“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.