SCHEMBL3781884

SCHEMBL3781884

N[C]([CH]c1ccccc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.45
AKR1C1 Q04828 1/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 3/20 0.43
RECQL P46063 2/20 0.43
LMNA P02545 2/20 0.43
CYP2C9 P11712 2/20 0.43
HDAC3 O15379 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
TNKS O95271 1/20 0.43
HCAR2 Q8TDS4 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
HDAC9 Q9UKV0 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
SCHEMBL176636 0.82 MAPT (0.48) AKR1C3AKR1C1MAPTALDH1A1RECQL
SCHEMBL6523405 0.82 TYR (0.47) MAPTALDH1A1CYP2C9HCAR2CYP2D6
SCHEMBL5391413 0.76 MCL1 (0.47) AKR1C3AKR1C1MAPTALDH1A1RECQL
SCHEMBL142531 0.74 HDAC1 (0.56) AKR1C3AKR1C1MAPTALDH1A1RECQL
SCHEMBL7520233 0.74 ALDH1A1 (0.50) AKR1C3AKR1C1MAPTALDH1A1RECQL
(Z)-1,2-Diphenylethene SCHEMBL28483617 0.72 HDAC1 (0.61) MAPTALDH1A1RECQLLMNACYP2C9
SCHEMBL792779 0.71 AKR1C3 (0.56) AKR1C3AKR1C1MAPTALDH1A1RECQL
SCHEMBL1081471 0.71 AKR1C3 (0.56) AKR1C3AKR1C1MAPTALDH1A1RECQL
SCHEMBL5982913 0.71 AKR1C3 (0.56) AKR1C3AKR1C1MAPTALDH1A1RECQL
SCHEMBL1515664 0.71 HTT (0.49) MAPTALDH1A1RECQLLMNACYP2C9

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1829889-A2 Kahalalide f and related compounds PHARMA MAR, S.A. (ES) 2007-09-05 EP claimed
US-11603487-B2 Low molecular mass organic gelator wellbore stabilizers HALLIBURTON ENERGY SERVICES, INC. (US) 2023-03-14 US disclosed
US-11352538-B2 Low molecular mass organic gelator viscosihiers HALLIBURTON ENERGY SERVICES, INC. (US) 2022-06-07 US disclosed
US-20210371720-A1 LOW MOLECULAR MASS ORGANIC GELATOR WELLBORE STABILIZERS HALLIBURTON ENERGY SERVICES, INC. 2021-12-02 US disclosed
US-20210371721-A1 LOW MOLECULAR MASS ORGANIC GELATOR VISCOSIFIERS HALLIBURTON ENERGY SERVICES, INC. 2021-12-02 US disclosed
EP-2258715-A1 Kahalalide compounds PHARMA MAR, S.A. (ES) 2010-12-08 EP disclosed
US-7482429-B2 Kahalalide F and related compounds PHARMA MAR, S.A. (ES) 2009-01-27 US disclosed
US-20080318849-A1 Kahalalide F and Related Compounds PHARMA MAR, S.A. (ES) 2008-12-25 US disclosed
EP-1829889-A2 Kahalalide f and related compounds PHARMA MAR, S.A. (ES) 2007-09-05 EP disclosed
EP-1254162-B1 KAHALALIDE F AND RELATED COMPOUNDS PHARMA MAR SA (ES) 2007-08-29 EP disclosed
US-20040214755-A1 Kahalalide f and related compounds PHARMA MAR, S.A. (ES) 2004-10-28 US disclosed
EP-0736036-B1 KININOGEN INHIBITORS FERRING BV (NL) 2004-10-13 EP disclosed
EP-1254162-A2 KAHALALIDE F AND RELATED COMPOUNDS PHARMA MAR, S.A. (ES) 2002-11-06 EP disclosed
WO-2001058934-A2 KAHALALIDE F AND RELATED COMPOUNDS PHARMA MAR, S.A. (ES) 2001-08-16 WO disclosed
WO-1995007291-A1 KININOGEN INHIBITORS FERRING B.V. (NL) 1995-03-16 WO disclosed
US-4766110-A INHIBITS ANGIOTENSIN CONVERTING ENZYME, HYPOTENSIVE AGENTS RYAN JAMES W (US) 1988-08-23 US disclosed
EP-0073143-B1 NOVEL COMPLEX AMIDO AND IMIDO DERIVATIVES OF CARBOXYALKYL PEPTIDES AND THIOETHERS AND ETHERS OF PEPTIDES Ryan, James Walter (US) 1985-11-21 EP disclosed
EP-0073143-A2 Novel complex amido and imido derivatives of carboxyalkyl peptides and thioethers and ethers of peptides Ryan, James Walter (US) 1983-03-02 EP disclosed
EP-0048159-A2 Novel carboxyalkyl peptides and thioethers and ethers of peptides as antihypertensive agents UNIVERSITY OF MIAMI (US) 1982-03-24 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 (2 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-20040214755-A1 Kahalalide f and related compounds KHK, HK1, HEXD AKR1C3 759/4885AKR1C1 857/4885MAPT 3511/4885
US-20080318849-A1 Kahalalide F and Related Compounds KHK, HK1, HEXD AKR1C3 759/4885AKR1C1 857/4885MAPT 3511/4885

“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.