SCHEMBL3307441

SCHEMBL3307441

CCC(C)(C)c1ccccc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
ALOX15 P16050 3/20 0.48
TDP1 Q9NUW8 1/20 0.44
CA12 O43570 5/20 0.42
CA9 Q16790 5/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA4 P22748 2/20 0.42
CA7 P43166 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HMGB1 P09429 1/20 0.42
HPGD P15428 1/20 0.42
CA6 P23280 1/20 0.42
NAPRT Q6XQN6 1/20 0.42
CA14 Q9ULX7 1/20 0.42
MAPT P10636 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
MYC P01106 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL10456207 0.90 ALOX15 (0.47) ALDH1A1ALOX15SMN1; SMN2LMNAPOLB
SCHEMBL247594 0.86 ALDH1A1 (0.50) ALDH1A1ALOX15TDP1CA12CA9
SCHEMBL11180581 0.85 ALDH1A1 (0.48) ALDH1A1ALOX15TDP1CA12CA9
SCHEMBL14234964 0.85 ALDH1A1 (0.48) ALDH1A1ALOX15TDP1CA12CA9
SCHEMBL27782215 0.84 NR4A3 (0.43) ALDH1A1ALOX15TDP1CA12CA9
SCHEMBL3831753 0.84 ALDH1A1 (0.50) ALDH1A1ALOX15TDP1CA12CA9
SCHEMBL2228380 0.83 KDM4E (0.44) ALDH1A1KDM4EHPGDMAPTLMNA
SCHEMBL2574987 0.83 TAAR1 (0.48) ALDH1A1ALOX15TDP1CA12CA9
SCHEMBL28284391 0.83 ALDH1A1 (0.46) ALDH1A1ALOX15TDP1CA12CA9
SCHEMBL11699226 0.82 ALDH1A1 (0.50) ALDH1A1ALOX15TDP1CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2158199-A1 PIPERIDINE COMPOUNDS AND USES THEREOF AstraZeneca AB (SE) 2010-03-03 EP claimed
WO-2008152418-A1 PIPERIDINE COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2008-12-18 WO claimed
EP-3781574-A1 MACROCYCLIC SPIROETHERS AS MCL-1 INHIBITORS Ascentage Pharma (Suzhou) Co., Ltd. (CN) 2021-02-24 EP disclosed
WO-2020147802-A1 MACROCYCLIC SPIROETHERS AS MCL-1 INHIBITORS ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2020-07-23 WO disclosed
US-9771337-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-09-26 US disclosed
US-20170088526-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-03-30 US disclosed
CN-101679346-B Substituted benzoylamino-indan-2-carboxylic acids and related compounds SANOFI-AVENTIS (FR) 2014-10-22 CN disclosed
US-8569535-B2 Substituted benzoylamino-indan-2-carboxylic acids and related compounds SANOFI (FR) 2013-10-29 US disclosed
US-8569535-B2 Substituted benzoylamino-indan-2-carboxylic acids and related compounds SANOFI (FR) 2013-10-29 US disclosed
US-8569535-B2 Substituted benzoylamino-indan-2-carboxylic acids and related compounds SANOFI (FR) 2013-10-29 US disclosed
US-20120309724-A1 NEPRILYSIN INHIBITORS THERAVANCE, INC. (US) 2012-12-06 US disclosed
US-20100113462-A1 SUBSTITUTED BENZOYLAMINO-INDAN-2-CARBOXYLIC ACIDS AND RELATED COMPOUNDS SANOFI-AVENTIS (FR) 2010-05-06 US disclosed
US-20100113462-A1 SUBSTITUTED BENZOYLAMINO-INDAN-2-CARBOXYLIC ACIDS AND RELATED COMPOUNDS SANOFI-AVENTIS (FR) 2010-05-06 US disclosed
US-20100113462-A1 SUBSTITUTED BENZOYLAMINO-INDAN-2-CARBOXYLIC ACIDS AND RELATED COMPOUNDS SANOFI-AVENTIS (FR) 2010-05-06 US disclosed
US-7498116-B2 Resist composition and pattern formation method using the same FUJIFILM CORPORATION (JP) 2009-03-03 US disclosed
US-7498116-B2 Resist composition and pattern formation method using the same FUJIFILM CORPORATION (JP) 2009-03-03 US disclosed
WO-2008151211-A1 SUBSTITUTED BENZOYLAMINO-INDAN-2-CARBOXYLIC ACIDS AND RELATED COMPOUNDS SANOFI-AVENTIS (FR) 2008-12-11 WO disclosed
US-20080241750-A1 RESIST COMPOSITION AND PATTERN FORMATION METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2008-10-02 US disclosed
US-20080241750-A1 RESIST COMPOSITION AND PATTERN FORMATION METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2008-10-02 US disclosed
US-4219570-A Insect repellents and a method of repelling insects AJINOMOTO COMPANY, INCORPORATED (JP) 1980-08-26 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 (3 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-20120309724-A1 NEPRILYSIN INHIBITORS MME, REN, ACE ALDH1A1 3597/4885ALOX15 4236/4885TDP1 1172/4885
US-20170088526-A1 NEPRILYSIN INHIBITORS MME, REN, ACE ALDH1A1 3597/4885ALOX15 4236/4885TDP1 1172/4885
US-20100113462-A1 SUBSTITUTED BENZOYLAMINO-INDAN-2-CARBOXYLIC ACIDS AND RELATED COMPOUNDS CXCR5, CXCR1, CCR5 ALDH1A1 1892/4885ALOX15 597/4885TDP1 4446/4885

“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.