SCHEMBL4803022

SCHEMBL4803022

CCc1cccc2c(CCO)c[nH]c12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.55
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.48
HTR2A P28223 3/20 0.47
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MPO P05164 3/20 0.46
SLC6A4 P31645 1/20 0.45
MEN1 O00255 2/20 0.45
RAB9A P51151 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.45
MAPK1 P28482 1/20 0.45
CASP3 P42574 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
TSHR P16473 1/20 0.45
GAA P10253 1/20 0.45
PIM1 P11309 1/20 0.44
PIM3 Q86V86 1/20 0.44

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
SCHEMBL10252339 0.88 MPO (0.49) HTTSMN1; SMN2HTR2AMAPTNPSR1
SCHEMBL13715349 0.86 HTT (0.54) HTTALDH1A1LMNASMN1; SMN2HTR2A
SCHEMBL14667559 0.86 ALDH1A1 (0.60) HTTALDH1A1LMNASMN1; SMN2HTR2A
SCHEMBL27911679 0.82 GPR84 (0.59) HTTALDH1A1LMNASMN1; SMN2HTR2A
SCHEMBL13258467 0.82 MPO (0.64) SMN1; SMN2HTR2AMAPTNPSR1MPO
SCHEMBL4803628 0.81 HTR2A (0.71) HTTSMN1; SMN2HTR2AMAPTNPSR1
SCHEMBL5477550 0.81 MPO (0.49) HTTSMN1; SMN2HTR2AMAPTNPSR1
SCHEMBL6131640 0.79 ALDH1A1 (0.57) HTTALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL11539380 0.78 HTR2A (0.54) HTTSMN1; SMN2HTR2AMAPTNPSR1
SCHEMBL4801899 0.78 MPO (0.73) SMN1; SMN2HTR2AMAPTNPSR1MPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120302545-A1 Method of Using PI3K and MEK Modulators EXELIXIS, INC. (US) 2012-11-29 US claimed
CN-118308790-A Adjustable double A-site hybrid ferroelectric perovskite single crystal photovoltaic device and preparation method and application thereof 暨南大学 2024-07-09 CN disclosed
CN-217262186-U Safety device for storing 7-ethyl tryptophol 安徽金泉生物科技股份有限公司 2022-08-23 CN disclosed
CN-216320072-U 7 quick crystallization device of ethyl tryptophol reagent 安徽金泉生物科技股份有限公司 2022-04-19 CN disclosed
US-11046705-B1 Method for preparing etodolac methyl ester ZHEJIANG INTERNATIONAL STUDIES UNIVERSITY (CN) 2021-06-29 US disclosed
CN-208320023-U A kind of rectifying device applied to 7- ethyl tryptophol 江苏绿洲化工有限公司 2019-01-04 CN disclosed
CN-206508895-U It is a kind of to be used for the constant temperature agitating device of 7 ethyl tryptophols synthesis 沈建君 2017-09-22 CN disclosed
CN-206404672-U It is a kind of to be used for the multitube pre-mixing apparatus of 7 ethyl tryptophols synthesis 安徽金泉生物科技股份有限公司 2017-08-15 CN disclosed
CN-205223070-U A continuous production system that is used for 7 - ethyl tryptophol synthetic ANHUI JINQUAN BIOTECHNOLOGY CO LTD 2016-05-11 CN disclosed
EP-2533254-B1 REDUCING AGENT COMPOSITION FOR CONDUCTIVE METAL PASTE NAMICS CORP (JP) 2015-11-04 EP disclosed
US-20060166947-A1 Multiple myeloma treatments DANA-FARBER CANCER INSTITUTE, INC. 2006-07-27 US disclosed
US-20060160876-A1 (6-Bromo-1,8-diethyl-1,3,4,9-tetrahydro-pyrano[3,4-b]indol-1-yl)-acetic acid ethyl ester; antineoplastic, anti-inflammatory, analgesic SALMEDIX, INC. 2006-07-20 US disclosed
EP-1680428-A2 SUBSTITUTED INDOLE DERIVATIVES CEPHALON, INC. (US) 2006-07-19 EP disclosed
EP-1673373-A2 INDOLE DERIVATIVES Salmedix, Inc. (US) 2006-06-28 EP disclosed
WO-2005033112-A2 SUBSTITUTED INDOLE DERIVATIVES CEPHALON, INC. (US) 2005-04-14 WO disclosed
WO-2005033113-A2 INDOLE DERIVATIVES CEPHALON, INC (US) 2005-04-14 WO disclosed
US-4409224-A Pyrimido[1,6-a]indole derivatives AMERICAN HOME PRODUCTS CORP. (US) 1983-10-11 US disclosed
US-4307234-A Pyrimido[1,6-a]indole derivatives AMERICAN HOME PRODUCTS CORP. (US) 1981-12-22 US disclosed
WO-1980000537-A1 PYRIMIDO(1,6-A)INDOLE DERIVATIVES AMERICAN HOME PROD (US) 1980-04-03 WO disclosed
EP-0008950-A2 Pyrimido(1,6-a)indole derivatives and intermediates therefor, processes for their preparation, pharmaceutical compositions containing the derivatives and their use AMERICAN HOME PRODUCTS CORPORATION (US) 1980-03-19 EP 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 (4 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-20060160876-A1 (6-Bromo-1,8-diethyl-1,3,4,9-tetrahydro-pyrano[3,4-b]indol-1-yl)-acetic acid ethyl ester; antineoplastic, anti-inflammatory, analgesic IL6, OPRK1, PTGES3 HTT 1373/4885ALDH1A1 74/4885LMNA 3106/4885
US-11046705-B1 Method for preparing etodolac methyl ester MSMO1, HTR3C, TH HTT 1660/4885ALDH1A1 1791/4885LMNA 754/4885
US-20120302545-A1 Method of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 HTT 4266/4885ALDH1A1 4089/4885LMNA 3675/4885
US-20060166947-A1 Multiple myeloma treatments BCL6, MCL1, BCL6B HTT 4106/4885ALDH1A1 2355/4885LMNA 1920/4885

“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.